methyl 2-[(4-aminophenyl)carbonyl-phenylmethoxycarbonyl-amino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-[(4-aminophenyl)carbonyl-phenylmethoxycarbonyl-amino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-[(4-aminobenzoyl)-benzyloxycarbonyl-amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[[(4-aminophenyl)-oxomethyl]-phenylmethoxycarbonylamino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[(4-aminobenzoyl)-phenylmethoxycarbonylamino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[(4-aminobenzoyl)-carbobenzoxy-amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)N(C(=O)C2=CC=C(C=C2)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)N(C(=O)C2=CC=C(C=C2)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O5/c1-30-21(28)19(11-18-12-24-14-25-18)26(20(27)16-7-9-17(23)10-8-16)22(29)31-13-15-5-3-2-4-6-15/h2-10,12,14,19H,11,13,23H2,1H3,(H,24,25)