ethyl 2-(3-methyl-4-propan-2-yl-phenyl)-1,3-bis(oxidanylidene)-4-(phenylcarbonyloxy)isoquinoline-4-carboxylate

Systemtic Name: ethyl 2-(3-methyl-4-propan-2-yl-phenyl)-1,3-bis(oxidanylidene)-4-(phenylcarbonyloxy)isoquinoline-4-carboxylate Openeye Name: ethyl 4-benzoyloxy-2-(4-isopropyl-3-methyl-phenyl)-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-benzoyloxy-2-(3-methyl-4-propan-2-ylphenyl)-1,3-dioxo-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzoyloxy-2-(3-methyl-4-propan-2-ylphenyl)-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-benzoyloxy-2-(4-isopropyl-3-methyl-phenyl)-1,3-diketo-isoquinoline-4-carboxylic acid ethyl ester Formula: C29H27NO6 MolecularWeight: 485.52778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)C(C)C)C)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)C(C)C)C)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H27NO6/c1-5-35-28(34)29(36-26(32)20-11-7-6-8-12-20)24-14-10-9-13-23(24)25(31)30(27(29)33)21-15-16-22(18(2)3)19(4)17-21/h6-18H,5H2,1-4H3