methyl 2-(4-butylphenyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-butylphenyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-butylphenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(4-butylphenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-butylphenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(4-butylphenyl)-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C30H31NO6 MolecularWeight: 501.57024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC

InChI

InChI=1S/C30H31NO6/c1-6-7-10-19-13-15-21(16-14-19)31-27(30(33)37-5)26(22-11-8-9-12-23(22)29(31)32)20-17-24(34-2)28(36-4)25(18-20)35-3/h8-9,11-18H,6-7,10H2,1-5H3