ethyl 4-[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]carbonyl-prop-2-enyl-amino]benzoate

Systemtic Name: ethyl 4-[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]carbonyl-prop-2-enyl-amino]benzoate Openeye Name: ethyl 4-[allyl-[4-[benzyloxycarbonyl(methyl)amino]benzoyl]amino]benzoate CAS Name: 4-[[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]-oxomethyl]-prop-2-enylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]-prop-2-enylamino]benzoate Traditional Name: 4-[allyl-[4-[carbobenzoxy(methyl)amino]benzoyl]amino]benzoic acid ethyl ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC=C)C(=O)C2=CC=C(C=C2)N(C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC=C)C(=O)C2=CC=C(C=C2)N(C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H28N2O5/c1-4-19-30(25-17-13-23(14-18-25)27(32)34-5-2)26(31)22-11-15-24(16-12-22)29(3)28(33)35-20-21-9-7-6-8-10-21/h4,6-18H,1,5,19-20H2,2-3H3