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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(3-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-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-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-(3-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=CC(=C4)C#N

Isomeric SMILES

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

InChI

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