methyl 3-[[4-(3-ethylphenyl)phenyl]carbonylamino]-2-(piperidin-3-ylmethyl)pentanoate

Systemtic Name: methyl 3-[[4-(3-ethylphenyl)phenyl]carbonylamino]-2-(piperidin-3-ylmethyl)pentanoate Openeye Name: methyl 3-[[4-(3-ethylphenyl)benzoyl]amino]-2-(3-piperidylmethyl)pentanoate CAS Name: 3-[[[4-(3-ethylphenyl)phenyl]-oxomethyl]amino]-2-(3-piperidinylmethyl)pentanoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-ethylphenyl)benzoyl]amino]-2-(piperidin-3-ylmethyl)pentanoate Traditional Name: 3-[[4-(3-ethylphenyl)benzoyl]amino]-2-(3-piperidylmethyl)valeric acid methyl ester Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(CC)C(CC3CCCNC3)C(=O)OC

Isomeric SMILES

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(CC)C(CC3CCCNC3)C(=O)OC

InChI

InChI=1S/C27H36N2O3/c1-4-19-8-6-10-23(16-19)21-11-13-22(14-12-21)26(30)29-25(5-2)24(27(31)32-3)17-20-9-7-15-28-18-20/h6,8,10-14,16,20,24-25,28H,4-5,7,9,15,17-18H2,1-3H3,(H,29,30)