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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H25N3O5/c1-28-18-9-7-17(8-10-18)24(12-11-19(22)25)14-20(26)23-13-15-3-5-16(6-4-15)21(27)29-2/h3-10H,11-14H2,1-2H3,(H2,22,25)(H,23,26)