4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; (1R,2R)-2-(methylamino)-1-phenyl-propan-1-ol

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; (1R,2R)-2-(methylamino)-1-phenyl-propan-1-ol Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; (1R,2R)-2-(methylamino)-1-phenyl-propan-1-ol CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; (1R,2R)-2-(methylamino)-1-phenyl-1-propanol IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; (1R,2R)-2-(methylamino)-1-phenylpropan-1-ol Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; (1R,2R)-2-(methylamino)-1-phenyl-propan-1-ol Formula: C33H31NO7 MolecularWeight: 553.60174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)NC.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CC=C1)O)NC.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.C10H15NO/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;1-8(11-2)10(12)9-6-4-3-5-7-9/h1-10,24-25H,11H2,(H,26,27)(H,28,29);3-8,10-12H,1-2H3/t;8-,10+/m.1/s1