benzoic acid; 1-[3-(4-methylpiperidin-1-yl)-2-oxidanyl-propyl]indole-3-carbaldehyde

Systemtic Name: benzoic acid; 1-[3-(4-methylpiperidin-1-yl)-2-oxidanyl-propyl]indole-3-carbaldehyde Openeye Name: benzoic acid; 1-[2-hydroxy-3-(4-methyl-1-piperidyl)propyl]indole-3-carbaldehyde CAS Name: benzoic acid; 1-[2-hydroxy-3-(4-methyl-1-piperidinyl)propyl]-3-indolecarboxaldehyde IUPAC Name: benzoic acid; 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]indole-3-carbaldehyde Traditional Name: benzoic acid; 1-[2-hydroxy-3-(4-methylpiperidino)propyl]indole-3-carbaldehyde Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC(CN2C=C(C3=CC=CC=C32)C=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1CCN(CC1)CC(CN2C=C(C3=CC=CC=C32)C=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C18H24N2O2.C7H6O2/c1-14-6-8-19(9-7-14)11-16(22)12-20-10-15(13-21)17-4-2-3-5-18(17)20;8-7(9)6-4-2-1-3-5-6/h2-5,10,13-14,16,22H,6-9,11-12H2,1H3;1-5H,(H,8,9)