4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 3-(diethylaminomethyl)-4-(4-oxidanylpiperidin-1-yl)butan-2-one

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 3-(diethylaminomethyl)-4-(4-oxidanylpiperidin-1-yl)butan-2-one Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 3-(diethylaminomethyl)-4-(4-hydroxy-1-piperidyl)butan-2-one CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; 3-(diethylaminomethyl)-4-(4-hydroxy-1-piperidinyl)-2-butanone IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; 3-(diethylaminomethyl)-4-(4-hydroxypiperidino)butan-2-one Formula: C37H44N2O8 MolecularWeight: 644.75386

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CN1CCC(CC1)O)C(=O)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

CCN(CC)CC(CN1CCC(CC1)O)C(=O)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C23H16O6.C14H28N2O2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-4-15(5-2)10-13(12(3)17)11-16-8-6-14(18)7-9-16/h1-10,24-25H,11H2,(H,26,27)(H,28,29);13-14,18H,4-11H2,1-3H3