1-(azepan-1-yl)-3-carbazol-9-yl-propan-2-ol; 4-tert-butylbenzoic acid

Systemtic Name: 1-(azepan-1-yl)-3-carbazol-9-yl-propan-2-ol; 4-tert-butylbenzoic acid Openeye Name: 1-(azepan-1-yl)-3-carbazol-9-yl-propan-2-ol; 4-tert-butylbenzoic acid CAS Name: 1-(1-azepanyl)-3-(9-carbazolyl)-2-propanol; 4-tert-butylbenzoic acid IUPAC Name: 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol; 4-tert-butylbenzoic acid Traditional Name: 1-(azepan-1-yl)-3-carbazol-9-yl-propan-2-ol; 4-tert-butylbenzoic acid Formula: C32H40N2O3 MolecularWeight: 500.6716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O.C11H14O2/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;1-11(2,3)9-6-4-8(5-7-9)10(12)13/h3-6,9-12,17,24H,1-2,7-8,13-16H2;4-7H,1-3H3,(H,12,13)