4-(3-carboxy-2-oxidanyl-naphthalen-1-yl)-3-oxidanyl-naphthalene-2-carboxylic acid; N-methyl-2-(11-methylbenzo[b][1]benzazepin-5-yl)ethanamine

Systemtic Name: 4-(3-carboxy-2-oxidanyl-naphthalen-1-yl)-3-oxidanyl-naphthalene-2-carboxylic acid; N-methyl-2-(11-methylbenzo[b][1]benzazepin-5-yl)ethanamine Openeye Name: 4-(3-carboxy-2-hydroxy-1-naphthyl)-3-hydroxy-naphthalene-2-carboxylic acid; N-methyl-2-(11-methylbenzo[b][1]benzazepin-5-yl)ethanamine CAS Name: 4-(3-carboxy-2-hydroxy-1-naphthalenyl)-3-hydroxy-2-naphthalenecarboxylic acid; N-methyl-2-(11-methyl-5-benzo[b][1]benzazepinyl)ethanamine IUPAC Name: 4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid; N-methyl-2-(11-methylbenzo[b][1]benzazepin-5-yl)ethanamine Traditional Name: 4-(3-carboxy-2-hydroxy-1-naphthyl)-3-hydroxy-2-naphthoic acid; methyl-[2-(11-methylbenzo[b][1]benzazepin-5-yl)ethyl]amine Formula: C40H34N2O6 MolecularWeight: 638.70776

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=CC2=CC=CC=C2N(C3=CC=CC=C31)C.C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

CNCCC1=CC2=CC=CC=C2N(C3=CC=CC=C31)C.C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C22H14O6.C18H20N2/c23-19-15(21(25)26)9-11-5-1-3-7-13(11)17(19)18-14-8-4-2-6-12(14)10-16(20(18)24)22(27)28;1-19-12-11-14-13-15-7-3-5-9-17(15)20(2)18-10-6-4-8-16(14)18/h1-10,23-24H,(H,25,26)(H,27,28);3-10,13,19H,11-12H2,1-2H3