ethyl 4,5-dimethoxy-2-[3-[4-[(phenylmethyl)carbamoylamino]phenyl]propanoylamino]benzoate

Systemtic Name: ethyl 4,5-dimethoxy-2-[3-[4-[(phenylmethyl)carbamoylamino]phenyl]propanoylamino]benzoate Openeye Name: ethyl 2-[3-[4-(benzylcarbamoylamino)phenyl]propanoylamino]-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-3-[4-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-(benzylcarbamoylamino)phenyl]propanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[3-[4-(benzylcarbamoylamino)phenyl]propanoylamino]-4,5-dimethoxy-benzoic acid ethyl ester Formula: C28H31N3O6 MolecularWeight: 505.56224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1NC(=O)CCC2=CC=C(C=C2)NC(=O)NCC3=CC=CC=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1NC(=O)CCC2=CC=C(C=C2)NC(=O)NCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C28H31N3O6/c1-4-37-27(33)22-16-24(35-2)25(36-3)17-23(22)31-26(32)15-12-19-10-13-21(14-11-19)30-28(34)29-18-20-8-6-5-7-9-20/h5-11,13-14,16-17H,4,12,15,18H2,1-3H3,(H,31,32)(H2,29,30,34)