benzoic acid; 1-[3-(3,5-dimethylpiperidin-1-yl)-2-oxidanyl-propyl]indole-3-carbaldehyde

Systemtic Name: benzoic acid; 1-[3-(3,5-dimethylpiperidin-1-yl)-2-oxidanyl-propyl]indole-3-carbaldehyde Openeye Name: benzoic acid; 1-[3-(3,5-dimethyl-1-piperidyl)-2-hydroxy-propyl]indole-3-carbaldehyde CAS Name: benzoic acid; 1-[3-(3,5-dimethyl-1-piperidinyl)-2-hydroxypropyl]-3-indolecarboxaldehyde IUPAC Name: benzoic acid; 1-[3-(3,5-dimethylpiperidin-1-yl)-2-hydroxypropyl]indole-3-carbaldehyde Traditional Name: benzoic acid; 1-[3-(3,5-dimethylpiperidino)-2-hydroxy-propyl]indole-3-carbaldehyde Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC(CN2C=C(C3=CC=CC=C32)C=O)O)C.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1CC(CN(C1)CC(CN2C=C(C3=CC=CC=C32)C=O)O)C.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C19H26N2O2.C7H6O2/c1-14-7-15(2)9-20(8-14)11-17(23)12-21-10-16(13-22)18-5-3-4-6-19(18)21;8-7(9)6-4-2-1-3-5-6/h3-6,10,13-15,17,23H,7-9,11-12H2,1-2H3;1-5H,(H,8,9)