4-(2-butylphenyl)-2-methyl-5-oxidanylidene-7-(phenylmethyl)-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylic acid

Systemtic Name: 4-(2-butylphenyl)-2-methyl-5-oxidanylidene-7-(phenylmethyl)-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylic acid Openeye Name: 7-benzyl-4-(2-butylphenyl)-2-methyl-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylic acid CAS Name: 4-(2-butylphenyl)-2-methyl-5-oxo-7-(phenylmethyl)-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylic acid IUPAC Name: 7-benzyl-4-(2-butylphenyl)-2-methyl-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylic acid Traditional Name: 7-benzyl-4-(2-butylphenyl)-5-keto-2-methyl-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylic acid Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C2C3=C(CN(CC3=O)CC4=CC=CC=C4)NC(=C2C(=O)O)C

Isomeric SMILES

CCCCC1=CC=CC=C1C2C3=C(CN(CC3=O)CC4=CC=CC=C4)NC(=C2C(=O)O)C

InChI

InChI=1S/C27H30N2O3/c1-3-4-12-20-13-8-9-14-21(20)25-24(27(31)32)18(2)28-22-16-29(17-23(30)26(22)25)15-19-10-6-5-7-11-19/h5-11,13-14,25,28H,3-4,12,15-17H2,1-2H3,(H,31,32)