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

Systemtic Name: (phenylmethyl) 2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]-3-phenylmethoxy-propanoate Openeye Name: benzyl 3-benzyloxy-2-[(3,4-dihydroxybenzoyl)amino]propanoate CAS Name: 2-[[(3,4-dihydroxyphenyl)-oxomethyl]amino]-3-phenylmethoxypropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3,4-dihydroxybenzoyl)amino]-3-phenylmethoxypropanoate Traditional Name: 3-benzoxy-2-(protocatechuoylamino)propionic acid benzyl ester Formula: C24H23NO6 MolecularWeight: 421.44252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO6/c26-21-12-11-19(13-22(21)27)23(28)25-20(16-30-14-17-7-3-1-4-8-17)24(29)31-15-18-9-5-2-6-10-18/h1-13,20,26-27H,14-16H2,(H,25,28)