methyl 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: methyl 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-(4-methylphenyl)propanoate Openeye Name: methyl 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-(p-tolyl)propanoate CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-(4-methylphenyl)propanoate Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-(p-tolyl)propionic acid methyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23NO5/c1-14-3-7-16(8-4-14)17(12-21(24)25-2)22-20(23)10-6-15-5-9-18-19(11-15)27-13-26-18/h3-5,7-9,11,17H,6,10,12-13H2,1-2H3,(H,22,23)