[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H]1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H21N3O3/c1-15-6-11-21-19(12-15)23(18-4-2-3-5-20(18)27-21)24(29)30-14-22(28)26-17-9-7-16(13-25)8-10-17/h2-5,7-10,15H,6,11-12,14H2,1H3,(H,26,28)/t15-/m0/s1