1-[(2S)-2-[(4-bromanyl-2-chloranyl-phenyl)carbamoylamino]-3-phenyl-propanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2S)-2-[(4-bromanyl-2-chloranyl-phenyl)carbamoylamino]-3-phenyl-propanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[(2S)-2-[(4-bromo-2-chloro-phenyl)carbamoylamino]-3-phenyl-propanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide CAS Name: 1-[(2S)-2-[[(4-bromo-2-chloroanilino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]-N-(4-methoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-3-phenylpropanoyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-[(2S)-2-[(4-bromo-2-chloro-phenyl)carbamoylamino]-3-phenyl-propanoyl]-N-(4-methoxyphenyl)isonipecotamide Formula: C29H30BrClN4O4 MolecularWeight: 613.9299

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)NC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)NC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C29H30BrClN4O4/c1-39-23-10-8-22(9-11-23)32-27(36)20-13-15-35(16-14-20)28(37)26(17-19-5-3-2-4-6-19)34-29(38)33-25-12-7-21(30)18-24(25)31/h2-12,18,20,26H,13-17H2,1H3,(H,32,36)(H2,33,34,38)/t26-/m0/s1