methyl 3-[4-(cyclopropylcarbonylamino)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[4-(cyclopropylcarbonylamino)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[4-[[cyclopropyl(oxo)methyl]amino]-1-oxobutyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CCCNC(=O)C2CC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CCCNC(=O)C2CC2)OC

InChI

InChI=1S/C20H28N2O6/c1-26-16-9-8-14(11-17(16)27-2)15(12-19(24)28-3)22-18(23)5-4-10-21-20(25)13-6-7-13/h8-9,11,13,15H,4-7,10,12H2,1-3H3,(H,21,25)(H,22,23)