ethyl 2-[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-methoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-methoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(N-(3-amino-3-oxo-propyl)-4-methoxy-anilino)acetyl]amino]benzoate CAS Name: 2-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(N-(3-amino-3-keto-propyl)-4-methoxy-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN(CCC(=O)N)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN(CCC(=O)N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25N3O5/c1-3-29-21(27)17-6-4-5-7-18(17)23-20(26)14-24(13-12-19(22)25)15-8-10-16(28-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H2,22,25)(H,23,26)