2-[[3-phenyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]prop-2-enoyl]amino]ethanoic acid

Systemtic Name: 2-[[3-phenyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]prop-2-enoyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-3-phenylprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]prop-2-enoyl]amino]acetic acid Traditional Name: 2-[[3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]acryloyl]amino]acetic acid Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=CC2=CC=CC=C2)C(=O)NCC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=CC2=CC=CC=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C21H22N2O7/c1-28-16-10-14(11-17(29-2)19(16)30-3)20(26)23-15(21(27)22-12-18(24)25)9-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,22,27)(H,23,26)(H,24,25)