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

Systemtic Name: 1-(azepan-1-yl)-3-carbazol-9-yl-propan-2-ol; 3,4-dimethoxybenzoic acid Openeye Name: 1-(azepan-1-yl)-3-carbazol-9-yl-propan-2-ol; 3,4-dimethoxybenzoic acid CAS Name: 1-(1-azepanyl)-3-(9-carbazolyl)-2-propanol; 3,4-dimethoxybenzoic acid IUPAC Name: 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol; 3,4-dimethoxybenzoic acid Traditional Name: 1-(azepan-1-yl)-3-carbazol-9-yl-propan-2-ol; veratric acid Formula: C30H36N2O5 MolecularWeight: 504.61724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)OC.C1CCCN(CC1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)OC.C1CCCN(CC1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O

InChI

InChI=1S/C21H26N2O.C9H10O4/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;1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-6,9-12,17,24H,1-2,7-8,13-16H2;3-5H,1-2H3,(H,10,11)