1-[3-(azepan-1-yl)-2-oxidanyl-propyl]indole-3-carbaldehyde; benzoic acid

Systemtic Name: 1-[3-(azepan-1-yl)-2-oxidanyl-propyl]indole-3-carbaldehyde; benzoic acid Openeye Name: 1-[3-(azepan-1-yl)-2-hydroxy-propyl]indole-3-carbaldehyde; benzoic acid CAS Name: 1-[3-(1-azepanyl)-2-hydroxypropyl]-3-indolecarboxaldehyde; benzoic acid IUPAC Name: 1-[3-(azepan-1-yl)-2-hydroxypropyl]indole-3-carbaldehyde; benzoic acid Traditional Name: 1-[3-(azepan-1-yl)-2-hydroxy-propyl]indole-3-carbaldehyde; benzoic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(CN2C=C(C3=CC=CC=C32)C=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CCCN(CC1)CC(CN2C=C(C3=CC=CC=C32)C=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C18H24N2O2.C7H6O2/c21-14-15-11-20(18-8-4-3-7-17(15)18)13-16(22)12-19-9-5-1-2-6-10-19;8-7(9)6-4-2-1-3-5-6/h3-4,7-8,11,14,16,22H,1-2,5-6,9-10,12-13H2;1-5H,(H,8,9)