[(3S)-1-[(2S)-2-[methyl-[4-(propylcarbamoyl)phenyl]amino]-2-phenyl-ethyl]pyrrolidin-3-yl] benzoate

Systemtic Name: [(3S)-1-[(2S)-2-[methyl-[4-(propylcarbamoyl)phenyl]amino]-2-phenyl-ethyl]pyrrolidin-3-yl] benzoate Openeye Name: [(3S)-1-[(2S)-2-[N-methyl-4-(propylcarbamoyl)anilino]-2-phenyl-ethyl]pyrrolidin-3-yl] benzoate CAS Name: benzoic acid [(3S)-1-[(2S)-2-[N-methyl-4-[oxo(propylamino)methyl]anilino]-2-phenylethyl]-3-pyrrolidinyl] ester IUPAC Name: [(3S)-1-[(2S)-2-[N-methyl-4-(propylcarbamoyl)anilino]-2-phenylethyl]pyrrolidin-3-yl] benzoate Traditional Name: benzoic acid [(3S)-1-[(2S)-2-[N-methyl-4-(propylcarbamoyl)anilino]-2-phenyl-ethyl]pyrrolidin-3-yl] ester Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)N(C)C(CN2CCC(C2)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)N(C)[C@H](CN2CC[C@@H](C2)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H35N3O3/c1-3-19-31-29(34)24-14-16-26(17-15-24)32(2)28(23-10-6-4-7-11-23)22-33-20-18-27(21-33)36-30(35)25-12-8-5-9-13-25/h4-17,27-28H,3,18-22H2,1-2H3,(H,31,34)/t27-,28+/m0/s1