2-[[(3,4-diacetyloxyphenyl)carbonyl-methyl-carbamoyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[(3,4-diacetyloxyphenyl)carbonyl-methyl-carbamoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[(3,4-diacetoxybenzoyl)-methyl-carbamoyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[[[(3,4-diacetyloxyphenyl)-oxomethyl]-methylamino]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[(3,4-diacetyloxybenzoyl)-methylcarbamoyl]amino]-2-phenylacetic acid Traditional Name: 2-[[(3,4-diacetoxybenzoyl)-methyl-carbamoyl]amino]-2-phenyl-acetic acid Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)N(C)C(=O)NC(C2=CC=CC=C2)C(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)N(C)C(=O)NC(C2=CC=CC=C2)C(=O)O)OC(=O)C

InChI

InChI=1S/C21H20N2O8/c1-12(24)30-16-10-9-15(11-17(16)31-13(2)25)19(26)23(3)21(29)22-18(20(27)28)14-7-5-4-6-8-14/h4-11,18H,1-3H3,(H,22,29)(H,27,28)