[2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate

Systemtic Name: [2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate Openeye Name: [2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [2-[[(1-methyl-2-imidazolyl)-phenylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [2-keto-2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]ethyl] ester Formula: C24H25N5O5 MolecularWeight: 463.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=NC=CN3C)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=NC=CN3C)NC(=O)C

InChI

InChI=1S/C24H25N5O5/c1-15(30)26-19-11-18(12-20(13-19)27-16(2)31)24(33)34-14-21(32)28-22(17-7-5-4-6-8-17)23-25-9-10-29(23)3/h4-13,22H,14H2,1-3H3,(H,26,30)(H,27,31)(H,28,32)