(2-methyl-1-phenethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl) benzoate

Systemtic Name: (2-methyl-1-phenethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl) benzoate Openeye Name: (2-methyl-1-phenethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl) benzoate CAS Name: benzoic acid (2-methyl-1-phenethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl) ester IUPAC Name: (2-methyl-1-phenethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl) benzoate Traditional Name: benzoic acid (2-methyl-1-phenethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl) ester Formula: C25H31NO2 MolecularWeight: 377.51914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2CCCCC2N1CCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CC(C2CCCCC2N1CCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H31NO2/c1-19-18-24(28-25(27)21-12-6-3-7-13-21)22-14-8-9-15-23(22)26(19)17-16-20-10-4-2-5-11-20/h2-7,10-13,19,22-24H,8-9,14-18H2,1H3