ethyl 1-[2-[(3-bromophenyl)carbamoylamino]-3-methyl-butanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(3-bromophenyl)carbamoylamino]-3-methyl-butanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(3-bromophenyl)carbamoylamino]-3-methyl-butanoyl]piperidine-3-carboxylate CAS Name: 1-[2-[[(3-bromoanilino)-oxomethyl]amino]-3-methyl-1-oxobutyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(3-bromophenyl)carbamoylamino]-3-methylbutanoyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(3-bromophenyl)carbamoylamino]-3-methyl-butanoyl]nipecotic acid ethyl ester Formula: C20H28BrN3O4 MolecularWeight: 454.35802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(C(C)C)NC(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C(C(C)C)NC(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C20H28BrN3O4/c1-4-28-19(26)14-7-6-10-24(12-14)18(25)17(13(2)3)23-20(27)22-16-9-5-8-15(21)11-16/h5,8-9,11,13-14,17H,4,6-7,10,12H2,1-3H3,(H2,22,23,27)