ethyl (3R)-1-[[3-(3-bromanyl-4-methyl-phenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[[3-(3-bromanyl-4-methyl-phenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[[3-(3-bromo-4-methyl-phenyl)imino-2-oxo-indolin-1-yl]methyl]piperidine-3-carboxylate CAS Name: (3R)-1-[[3-(3-bromo-4-methylphenyl)imino-2-oxo-1-indolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[[3-(3-bromo-4-methyl-phenyl)imino-2-keto-indolin-1-yl]methyl]nipecotic acid ethyl ester Formula: C24H26BrN3O3 MolecularWeight: 484.38554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C3=CC=CC=C3C(=NC4=CC(=C(C=C4)C)Br)C2=O

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN(C1)CN2C3=CC=CC=C3C(=NC4=CC(=C(C=C4)C)Br)C2=O

InChI

InChI=1S/C24H26BrN3O3/c1-3-31-24(30)17-7-6-12-27(14-17)15-28-21-9-5-4-8-19(21)22(23(28)29)26-18-11-10-16(2)20(25)13-18/h4-5,8-11,13,17H,3,6-7,12,14-15H2,1-2H3/t17-/m1/s1