methyl 3-[3-(cyclopentylcarbonylamino)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[3-(cyclopentylcarbonylamino)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[3-(cyclopentanecarbonylamino)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[3-[[cyclopentyl(oxo)methyl]amino]-1-oxopropyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[3-(cyclopentanecarbonylamino)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[3-(cyclopentanecarbonylamino)propanoylamino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CCNC(=O)C2CCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CCNC(=O)C2CCCC2)OC

InChI

InChI=1S/C21H30N2O6/c1-27-17-9-8-15(12-18(17)28-2)16(13-20(25)29-3)23-19(24)10-11-22-21(26)14-6-4-5-7-14/h8-9,12,14,16H,4-7,10-11,13H2,1-3H3,(H,22,26)(H,23,24)