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

Systemtic Name: methyl 2-[2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(3-amino-3-oxo-propyl)-benzyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(3-amino-3-oxopropyl)-benzylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[(3-amino-3-keto-propyl)-benzyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4/c1-27-20(26)16-9-5-6-10-17(16)22-19(25)14-23(12-11-18(21)24)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,21,24)(H,22,25)