methyl 1-[3-[(2-bromophenyl)carbonylamino]-4-oxidanyl-5-(phenylcarbamoyloxy)cyclohexen-1-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[3-[(2-bromophenyl)carbonylamino]-4-oxidanyl-5-(phenylcarbamoyloxy)cyclohexen-1-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[3-[(2-bromobenzoyl)amino]-4-hydroxy-5-(phenylcarbamoyloxy)cyclohexene-1-carbonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[5-[anilino(oxo)methoxy]-3-[[(2-bromophenyl)-oxomethyl]amino]-4-hydroxy-1-cyclohexenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(2-bromobenzoyl)amino]-4-hydroxy-5-(phenylcarbamoyloxy)cyclohexene-1-carbonyl]pyrrolidine-2-carboxylate Traditional Name: 1-[3-[(2-bromobenzoyl)amino]-4-hydroxy-5-(phenylcarbamoyloxy)cyclohexene-1-carbonyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C27H28BrN3O7 MolecularWeight: 586.43112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=CC(C(C(C2)OC(=O)NC3=CC=CC=C3)O)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

COC(=O)C1CCCN1C(=O)C2=CC(C(C(C2)OC(=O)NC3=CC=CC=C3)O)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C27H28BrN3O7/c1-37-26(35)21-12-7-13-31(21)25(34)16-14-20(30-24(33)18-10-5-6-11-19(18)28)23(32)22(15-16)38-27(36)29-17-8-3-2-4-9-17/h2-6,8-11,14,20-23,32H,7,12-13,15H2,1H3,(H,29,36)(H,30,33)