benzoic acid; 1-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)indole-3-carbaldehyde

Systemtic Name: benzoic acid; 1-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)indole-3-carbaldehyde Openeye Name: benzoic acid; 1-(2-hydroxy-3-pyrrolidin-1-yl-propyl)indole-3-carbaldehyde CAS Name: benzoic acid; 1-[2-hydroxy-3-(1-pyrrolidinyl)propyl]-3-indolecarboxaldehyde IUPAC Name: benzoic acid; 1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indole-3-carbaldehyde Traditional Name: benzoic acid; 1-(2-hydroxy-3-pyrrolidino-propyl)indole-3-carbaldehyde Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(CN2C=C(C3=CC=CC=C32)C=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CCN(C1)CC(CN2C=C(C3=CC=CC=C32)C=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H20N2O2.C7H6O2/c19-12-13-9-18(16-6-2-1-5-15(13)16)11-14(20)10-17-7-3-4-8-17;8-7(9)6-4-2-1-3-5-6/h1-2,5-6,9,12,14,20H,3-4,7-8,10-11H2;1-5H,(H,8,9)