methyl 1-oxidanylidene-6,7-diphenyl-2-propyl-3H-isoindole-5-carboxylate

Systemtic Name: methyl 1-oxidanylidene-6,7-diphenyl-2-propyl-3H-isoindole-5-carboxylate Openeye Name: methyl 1-oxo-6,7-diphenyl-2-propyl-isoindoline-5-carboxylate CAS Name: 1-oxo-6,7-diphenyl-2-propyl-3H-isoindole-5-carboxylic acid methyl ester IUPAC Name: methyl 1-oxo-6,7-diphenyl-2-propyl-3H-isoindole-5-carboxylate Traditional Name: 1-keto-6,7-diphenyl-2-propyl-isoindoline-5-carboxylic acid methyl ester Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=C(C1=O)C(=C(C(=C2)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1CC2=C(C1=O)C(=C(C(=C2)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO3/c1-3-14-26-16-19-15-20(25(28)29-2)21(17-10-6-4-7-11-17)22(23(19)24(26)27)18-12-8-5-9-13-18/h4-13,15H,3,14,16H2,1-2H3