[2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-keto-2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]ethyl] ester Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)COC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C22H19ClN2O4/c1-28-17-11-9-16(10-12-17)20(15-6-3-2-4-7-15)25-19(26)14-29-22(27)18-8-5-13-24-21(18)23/h2-13,20H,14H2,1H3,(H,25,26)/t20-/m0/s1