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

Systemtic Name: benzoic acid; 1-[3-(diethylamino)-2-oxidanyl-propyl]indole-3-carbaldehyde Openeye Name: benzoic acid; 1-[3-(diethylamino)-2-hydroxy-propyl]indole-3-carbaldehyde CAS Name: benzoic acid; 1-[3-(diethylamino)-2-hydroxypropyl]-3-indolecarboxaldehyde IUPAC Name: benzoic acid; 1-[3-(diethylamino)-2-hydroxypropyl]indole-3-carbaldehyde Traditional Name: benzoic acid; 1-[3-(diethylamino)-2-hydroxy-propyl]indole-3-carbaldehyde Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CN1C=C(C2=CC=CC=C21)C=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCN(CC)CC(CN1C=C(C2=CC=CC=C21)C=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H22N2O2.C7H6O2/c1-3-17(4-2)10-14(20)11-18-9-13(12-19)15-7-5-6-8-16(15)18;8-7(9)6-4-2-1-3-5-6/h5-9,12,14,20H,3-4,10-11H2,1-2H3;1-5H,(H,8,9)