(E,4S)-5-phenyl-4-[(4-phenylphenyl)carbamoylamino]-N-(3-pyrrolidin-1-ylpropyl)pent-2-enamide

Systemtic Name: (E,4S)-5-phenyl-4-[(4-phenylphenyl)carbamoylamino]-N-(3-pyrrolidin-1-ylpropyl)pent-2-enamide Openeye Name: (E,4S)-5-phenyl-4-[(4-phenylphenyl)carbamoylamino]-N-(3-pyrrolidin-1-ylpropyl)pent-2-enamide CAS Name: (E,4S)-4-[[oxo-(4-phenylanilino)methyl]amino]-5-phenyl-N-[3-(1-pyrrolidinyl)propyl]-2-pentenamide IUPAC Name: (E,4S)-5-phenyl-4-[(4-phenylphenyl)carbamoylamino]-N-(3-pyrrolidin-1-ylpropyl)pent-2-enamide Traditional Name: (E,4S)-5-phenyl-4-[(4-phenylphenyl)carbamoylamino]-N-(3-pyrrolidinopropyl)pent-2-enamide Formula: C31H36N4O2 MolecularWeight: 496.64314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)C=CC(CC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCCNC(=O)/C=C/[C@H](CC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H36N4O2/c36-30(32-20-9-23-35-21-7-8-22-35)19-18-29(24-25-10-3-1-4-11-25)34-31(37)33-28-16-14-27(15-17-28)26-12-5-2-6-13-26/h1-6,10-19,29H,7-9,20-24H2,(H,32,36)(H2,33,34,37)/b19-18+/t29-/m1/s1