1-(azepan-1-yl)-3-carbazol-9-yl-propan-2-ol; 3,4,5-trimethoxybenzoic acid

Systemtic Name: 1-(azepan-1-yl)-3-carbazol-9-yl-propan-2-ol; 3,4,5-trimethoxybenzoic acid Openeye Name: 1-(azepan-1-yl)-3-carbazol-9-yl-propan-2-ol; 3,4,5-trimethoxybenzoic acid CAS Name: 1-(1-azepanyl)-3-(9-carbazolyl)-2-propanol; 3,4,5-trimethoxybenzoic acid IUPAC Name: 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol; 3,4,5-trimethoxybenzoic acid Traditional Name: 1-(azepan-1-yl)-3-carbazol-9-yl-propan-2-ol; 3,4,5-trimethoxybenzoic acid Formula: C31H38N2O6 MolecularWeight: 534.64322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)O.C1CCCN(CC1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)O.C1CCCN(CC1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O

InChI

InChI=1S/C21H26N2O.C10H12O5/c24-17(15-22-13-7-1-2-8-14-22)16-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23;1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h3-6,9-12,17,24H,1-2,7-8,13-16H2;4-5H,1-3H3,(H,11,12)