[1-hexyl-2-methyl-3-[(1-phenethylpiperidin-4-yl)carbamoyl]indol-5-yl] ethanoate hydrochloride

Systemtic Name: [1-hexyl-2-methyl-3-[(1-phenethylpiperidin-4-yl)carbamoyl]indol-5-yl] ethanoate hydrochloride Openeye Name: [1-hexyl-2-methyl-3-[(1-phenethyl-4-piperidyl)carbamoyl]indol-5-yl] acetate hydrochloride CAS Name: acetic acid [1-hexyl-2-methyl-3-[oxo-[(1-phenethyl-4-piperidinyl)amino]methyl]-5-indolyl] ester hydrochloride IUPAC Name: [1-hexyl-2-methyl-3-[(1-phenethylpiperidin-4-yl)carbamoyl]indol-5-yl] acetate hydrochloride Traditional Name: acetic acid [1-hexyl-2-methyl-3-[(1-phenethyl-4-piperidyl)carbamoyl]indol-5-yl] ester hydrochloride Formula: C31H42ClN3O3 MolecularWeight: 540.13648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C2=C1C=CC(=C2)OC(=O)C)C(=O)NC3CCN(CC3)CCC4=CC=CC=C4)C.Cl

Isomeric SMILES

CCCCCCN1C(=C(C2=C1C=CC(=C2)OC(=O)C)C(=O)NC3CCN(CC3)CCC4=CC=CC=C4)C.Cl

InChI

InChI=1S/C31H41N3O3.ClH/c1-4-5-6-10-18-34-23(2)30(28-22-27(37-24(3)35)13-14-29(28)34)31(36)32-26-16-20-33(21-17-26)19-15-25-11-8-7-9-12-25;/h7-9,11-14,22,26H,4-6,10,15-21H2,1-3H3,(H,32,36);1H