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

Systemtic Name: methyl 2-[4-[(3-butyl-4-oxidanylidene-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(3-butyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(3-butyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-butyl-4-oxo-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-butyl-4-keto-5,6,7,8-tetrahydroquinolin-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C1=O)CCCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCCC1=CN(C2=C(C1=O)CCCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C28H31NO3/c1-3-4-9-22-19-29(26-13-8-7-12-25(26)27(22)30)18-20-14-16-21(17-15-20)23-10-5-6-11-24(23)28(31)32-2/h5-6,10-11,14-17,19H,3-4,7-9,12-13,18H2,1-2H3