methyl 6-butyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 6-butyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-benzyl-6-butyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 6-butyl-1-oxo-4-phenyl-2-(phenylmethyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-6-butyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 2-benzyl-6-butyl-1-keto-4-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C28H27NO3 MolecularWeight: 425.51888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C28H27NO3/c1-3-4-11-20-16-17-23-24(18-20)25(22-14-9-6-10-15-22)26(28(31)32-2)29(27(23)30)19-21-12-7-5-8-13-21/h5-10,12-18H,3-4,11,19H2,1-2H3