ethyl 4-[(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)-(3-methylbutyl)amino]benzoate

Systemtic Name: ethyl 4-[(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)-(3-methylbutyl)amino]benzoate Openeye Name: ethyl 4-[isopentyl-(1-isopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)amino]benzoate CAS Name: 4-[(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)-(3-methylbutyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)-(3-methylbutyl)amino]benzoate Traditional Name: 4-[isoamyl-(1-isopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)amino]benzoic acid ethyl ester Formula: C28H40N2O2 MolecularWeight: 436.6294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CCC(C)C)C2=CC3=C(C=C2)N(CCC3(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CCC(C)C)C2=CC3=C(C=C2)N(CCC3(C)C)C(C)C

InChI

InChI=1S/C28H40N2O2/c1-8-32-27(31)22-9-11-23(12-10-22)30(17-15-20(2)3)24-13-14-26-25(19-24)28(6,7)16-18-29(26)21(4)5/h9-14,19-21H,8,15-18H2,1-7H3