[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-naphthalen-1-yl-butyl] 2,4-bis(chloranyl)benzoate

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-naphthalen-1-yl-butyl] 2,4-bis(chloranyl)benzoate Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-naphthyl)butyl] 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-naphthalenyl)butyl] ester IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-naphthalen-1-ylbutyl] 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-naphthyl)butyl] ester Formula: C30H27Cl2NO2 MolecularWeight: 504.44688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCC(COC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCC(COC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H27Cl2NO2/c31-25-12-13-28(29(32)18-25)30(34)35-20-24(27-11-5-9-22-7-3-4-10-26(22)27)15-17-33-16-14-21-6-1-2-8-23(21)19-33/h1-13,18,24H,14-17,19-20H2