phenyl 4-azanyl-3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]carbonyl-2-methyl-benzoate

Systemtic Name: phenyl 4-azanyl-3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]carbonyl-2-methyl-benzoate Openeye Name: phenyl 4-amino-3-[4-(2-amino-2-oxo-ethyl)piperazine-1-carbonyl]-2-methyl-benzoate CAS Name: 4-amino-3-[[4-(2-amino-2-oxoethyl)-1-piperazinyl]-oxomethyl]-2-methylbenzoic acid phenyl ester IUPAC Name: phenyl 4-amino-3-[4-(2-amino-2-oxoethyl)piperazine-1-carbonyl]-2-methylbenzoate Traditional Name: 4-amino-3-[4-(2-amino-2-keto-ethyl)piperazine-1-carbonyl]-2-methyl-benzoic acid phenyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)N2CCN(CC2)CC(=O)N)N)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)N2CCN(CC2)CC(=O)N)N)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-14-16(21(28)29-15-5-3-2-4-6-15)7-8-17(22)19(14)20(27)25-11-9-24(10-12-25)13-18(23)26/h2-8H,9-13,22H2,1H3,(H2,23,26)