methyl (2S)-2-[[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-[(4-bromophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-(4-bromobenzoyl)isonipecotoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H25BrN2O4 MolecularWeight: 473.3596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H25BrN2O4/c1-30-23(29)20(15-16-5-3-2-4-6-16)25-21(27)17-11-13-26(14-12-17)22(28)18-7-9-19(24)10-8-18/h2-10,17,20H,11-15H2,1H3,(H,25,27)/t20-/m0/s1