methyl 2-[4-[(3-butyl-6-methyl-4-oxidanylidene-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(3-butyl-6-methyl-4-oxidanylidene-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(3-butyl-6-methyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(3-butyl-6-methyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-butyl-6-methyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-butyl-4-keto-6-methyl-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C29H33NO3 MolecularWeight: 443.57722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C1=O)CC(CC2)C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCCC1=CN(C2=C(C1=O)CC(CC2)C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C29H33NO3/c1-4-5-8-23-19-30(27-16-11-20(2)17-26(27)28(23)31)18-21-12-14-22(15-13-21)24-9-6-7-10-25(24)29(32)33-3/h6-7,9-10,12-15,19-20H,4-5,8,11,16-18H2,1-3H3