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

Systemtic Name: benzoic acid; 1-[3-(3-methylbutylamino)-2-oxidanyl-propyl]indole-3-carbaldehyde Openeye Name: benzoic acid; 1-[2-hydroxy-3-(isopentylamino)propyl]indole-3-carbaldehyde CAS Name: benzoic acid; 1-[2-hydroxy-3-(3-methylbutylamino)propyl]-3-indolecarboxaldehyde IUPAC Name: benzoic acid; 1-[2-hydroxy-3-(3-methylbutylamino)propyl]indole-3-carbaldehyde Traditional Name: benzoic acid; 1-[2-hydroxy-3-(isoamylamino)propyl]indole-3-carbaldehyde Formula: C24H30N2O4 MolecularWeight: 410.506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2.C7H6O2/c1-13(2)7-8-18-9-15(21)11-19-10-14(12-20)16-5-3-4-6-17(16)19;8-7(9)6-4-2-1-3-5-6/h3-6,10,12-13,15,18,21H,7-9,11H2,1-2H3;1-5H,(H,8,9)