methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(veratrylcarbamoylamino)propionic acid methyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)OC

InChI

InChI=1S/C22H25N3O5/c1-28-19-9-8-14(10-20(19)29-2)12-24-22(27)25-18(21(26)30-3)11-15-13-23-17-7-5-4-6-16(15)17/h4-10,13,18,23H,11-12H2,1-3H3,(H2,24,25,27)