methyl 3-[3-(2-phenylethanoylamino)propanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[3-(2-phenylethanoylamino)propanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[3-[(2-phenylacetyl)amino]propanoylamino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[1-oxo-3-[(1-oxo-2-phenylethyl)amino]propyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[3-[(2-phenylacetyl)amino]propanoylamino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[3-[(2-phenylacetyl)amino]propanoylamino]-4-pyrrolidino-benzoic acid methyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CCNC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CCNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4/c1-30-23(29)18-9-10-20(26-13-5-6-14-26)19(16-18)25-21(27)11-12-24-22(28)15-17-7-3-2-4-8-17/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,24,28)(H,25,27)