methyl (1S,5S)-5-[(4-methoxyphenyl)methyl-(phenylmethyl)amino]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,5S)-5-[(4-methoxyphenyl)methyl-(phenylmethyl)amino]cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,5S)-5-[benzyl-[(4-methoxyphenyl)methyl]amino]cyclohex-3-ene-1-carboxylate CAS Name: (1S,5S)-5-[(4-methoxyphenyl)methyl-(phenylmethyl)amino]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,5S)-5-[benzyl-[(4-methoxyphenyl)methyl]amino]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,5S)-5-[benzyl(p-anisyl)amino]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3CC(CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=CC=C2)[C@H]3C[C@H](CC=C3)C(=O)OC

InChI

InChI=1S/C23H27NO3/c1-26-22-13-11-19(12-14-22)17-24(16-18-7-4-3-5-8-18)21-10-6-9-20(15-21)23(25)27-2/h3-8,10-14,20-21H,9,15-17H2,1-2H3/t20-,21+/m0/s1