methyl 3-[2-(benzotriazol-1-yl)ethanoylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[2-(benzotriazol-1-yl)ethanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CN2C3=CC=CC=C3N=N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CN2C3=CC=CC=C3N=N2)OC

InChI

InChI=1S/C20H22N4O5/c1-27-17-9-8-13(10-18(17)28-2)15(11-20(26)29-3)21-19(25)12-24-16-7-5-4-6-14(16)22-23-24/h4-10,15H,11-12H2,1-3H3,(H,21,25)