ethyl 2-[[4-[4-(phenylmethyl)piperidin-1-yl]-3-pyrrolidin-1-ylcarbonyl-phenyl]carbamoylamino]ethanoate

Systemtic Name: ethyl 2-[[4-[4-(phenylmethyl)piperidin-1-yl]-3-pyrrolidin-1-ylcarbonyl-phenyl]carbamoylamino]ethanoate Openeye Name: ethyl 2-[[4-(4-benzyl-1-piperidyl)-3-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]acetate CAS Name: 2-[[oxo-[3-[oxo(1-pyrrolidinyl)methyl]-4-[4-(phenylmethyl)-1-piperidinyl]anilino]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]acetate Traditional Name: 2-[[4-(4-benzylpiperidino)-3-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]acetic acid ethyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)NC1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)CNC(=O)NC1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C28H36N4O4/c1-2-36-26(33)20-29-28(35)30-23-10-11-25(24(19-23)27(34)32-14-6-7-15-32)31-16-12-22(13-17-31)18-21-8-4-3-5-9-21/h3-5,8-11,19,22H,2,6-7,12-18,20H2,1H3,(H2,29,30,35)