[2-[1-cyclopropylethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[1-cyclopropylethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[benzyl(1-cyclopropylethyl)amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[1-cyclopropylethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[benzyl(1-cyclopropylethyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H22N2O3/c1-16(19-10-11-19)24(14-17-6-3-2-4-7-17)21(25)15-27-22(26)20-9-5-8-18(12-20)13-23/h2-9,12,16,19H,10-11,14-15H2,1H3