[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-methoxy-benzoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2)OC

InChI

InChI=1S/C21H24N2O6/c1-3-28-17-10-9-15(13-18(17)27-2)21(26)29-14-20(25)23(12-11-19(22)24)16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H2,22,24)