4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; (2S)-N-methyl-1-phenyl-N-(phenylmethyl)propan-2-amine

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; (2S)-N-methyl-1-phenyl-N-(phenylmethyl)propan-2-amine Openeye Name: (2S)-N-benzyl-N-methyl-1-phenyl-propan-2-amine; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; (2S)-N-methyl-1-phenyl-N-(phenylmethyl)-2-propanamine IUPAC Name: (2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid Traditional Name: benzyl-methyl-[(1S)-1-methyl-2-phenyl-ethyl]amine; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid Formula: C40H37NO6 MolecularWeight: 627.72488

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)N(C)CC2=CC=CC=C2.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](CC1=CC=CC=C1)N(C)CC2=CC=CC=C2.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.C17H21N/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;1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h1-10,24-25H,11H2,(H,26,27)(H,28,29);3-12,15H,13-14H2,1-2H3/t;15-/m.0/s1