methyl 3-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamoyl]benzoate

Systemtic Name: methyl 3-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamoyl]benzoate Openeye Name: methyl 3-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamoyl]benzoate CAS Name: 3-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoate Traditional Name: 3-[[[4-(benzylamino)-4-keto-butanoyl]amino]carbamoyl]benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O5/c1-28-20(27)16-9-5-8-15(12-16)19(26)23-22-18(25)11-10-17(24)21-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,21,24)(H,22,25)(H,23,26)