[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1S)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(2S)-1-[(9-ethyl-3-carbazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1S)-2-[(9-ethylcarbazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C4=CC=CC=C41

InChI

InChI=1S/C27H24N4O4/c1-3-31-23-7-5-4-6-21(23)22-16-20(12-13-24(22)31)30-26(33)17(2)35-27(34)18-8-10-19(11-9-18)29-25(32)14-15-28/h4-13,16-17H,3,14H2,1-2H3,(H,29,32)(H,30,33)/t17-/m0/s1