3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[2-(3-nitrophenyl)ethynyl]cyclobutan-1-amine hydrochloride

Systemtic Name: 3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[2-(3-nitrophenyl)ethynyl]cyclobutan-1-amine hydrochloride Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[2-(3-nitrophenyl)ethynyl]cyclobutanamine hydrochloride CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-[2-(3-nitrophenyl)ethynyl]-1-cyclobutanamine hydrochloride IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-[2-(3-nitrophenyl)ethynyl]cyclobutan-1-amine hydrochloride Traditional Name: [3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[2-(3-nitrophenyl)ethynyl]cyclobutyl]amine hydrochloride Formula: C24H27ClN2O4 MolecularWeight: 442.93518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CC(C2)N)C#CC3=CC(=CC=C3)[N+](=O)[O-])OC4CCCC4.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CC(C2)N)C#CC3=CC(=CC=C3)[N+](=O)[O-])OC4CCCC4.Cl

InChI

InChI=1S/C24H26N2O4.ClH/c1-29-22-10-9-18(14-23(22)30-21-7-2-3-8-21)24(15-19(25)16-24)12-11-17-5-4-6-20(13-17)26(27)28;/h4-6,9-10,13-14,19,21H,2-3,7-8,15-16,25H2,1H3;1H