[2-[[5-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]carbamoyl]phenyl] ethanoate

Systemtic Name: [2-[[5-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]carbamoyl]phenyl] ethanoate Openeye Name: [2-[[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]carbamoyl]phenyl] acetate CAS Name: acetic acid [2-[[5-[1,4-diazepan-1-yl(oxo)methyl]-2-methylanilino]-oxomethyl]phenyl] ester IUPAC Name: [2-[[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]carbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]carbamoyl]phenyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCNCC2)NC(=O)C3=CC=CC=C3OC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCNCC2)NC(=O)C3=CC=CC=C3OC(=O)C

InChI

InChI=1S/C22H25N3O4/c1-15-8-9-17(22(28)25-12-5-10-23-11-13-25)14-19(15)24-21(27)18-6-3-4-7-20(18)29-16(2)26/h3-4,6-9,14,23H,5,10-13H2,1-2H3,(H,24,27)