ethyl (3S)-1-[[7-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[7-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(7-bromo-2,3-dioxo-indolin-1-yl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(7-bromo-2,3-dioxo-1-indolyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(7-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(7-bromo-2,3-diketo-indolin-1-yl)methyl]nipecotic acid ethyl ester Formula: C17H19BrN2O4 MolecularWeight: 395.24776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C3=C(C=CC=C3Br)C(=O)C2=O

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C3=C(C=CC=C3Br)C(=O)C2=O

InChI

InChI=1S/C17H19BrN2O4/c1-2-24-17(23)11-5-4-8-19(9-11)10-20-14-12(15(21)16(20)22)6-3-7-13(14)18/h3,6-7,11H,2,4-5,8-10H2,1H3/t11-/m0/s1