N-[2-tert-butyl-6-(3-imidazol-1-ylpropoxymethyl)phenyl]-2-(9H-xanthen-9-yl)ethanamide hydrochloride

Systemtic Name: N-[2-tert-butyl-6-(3-imidazol-1-ylpropoxymethyl)phenyl]-2-(9H-xanthen-9-yl)ethanamide hydrochloride Openeye Name: N-[2-tert-butyl-6-(3-imidazol-1-ylpropoxymethyl)phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride CAS Name: N-[2-tert-butyl-6-[3-(1-imidazolyl)propoxymethyl]phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride IUPAC Name: N-[2-tert-butyl-6-(3-imidazol-1-ylpropoxymethyl)phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride Traditional Name: N-[2-tert-butyl-6-(3-imidazol-1-ylpropoxymethyl)phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride Formula: C32H36ClN3O3 MolecularWeight: 546.09954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)COCCCN5C=CN=C5.Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)COCCCN5C=CN=C5.Cl

InChI

InChI=1S/C32H35N3O3.ClH/c1-32(2,3)27-13-8-10-23(21-37-19-9-17-35-18-16-33-22-35)31(27)34-30(36)20-26-24-11-4-6-14-28(24)38-29-15-7-5-12-25(26)29;/h4-8,10-16,18,22,26H,9,17,19-21H2,1-3H3,(H,34,36);1H