(phenylmethyl) 2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: benzyl 2-[(3,4-dihydroxybenzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(3,4-dihydroxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3,4-dihydroxybenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(protocatechuoylamino)propionic acid benzyl ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C23H21NO5/c25-20-12-11-18(14-21(20)26)22(27)24-19(13-16-7-3-1-4-8-16)23(28)29-15-17-9-5-2-6-10-17/h1-12,14,19,25-26H,13,15H2,(H,24,27)