benzoic acid; 4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1H-indole-3-carbaldehyde

Systemtic Name: benzoic acid; 4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1H-indole-3-carbaldehyde Openeye Name: benzoic acid; 4-[2-hydroxy-3-(isopropylamino)propoxy]-1H-indole-3-carbaldehyde CAS Name: benzoic acid; 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indole-3-carboxaldehyde IUPAC Name: benzoic acid; 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indole-3-carbaldehyde Traditional Name: benzoic acid; 4-[2-hydroxy-3-(isopropylamino)propoxy]-1H-indole-3-carbaldehyde Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC2=C1C(=CN2)C=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=C1C(=CN2)C=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H20N2O3.C7H6O2/c1-10(2)16-7-12(19)9-20-14-5-3-4-13-15(14)11(8-18)6-17-13;8-7(9)6-4-2-1-3-5-6/h3-6,8,10,12,16-17,19H,7,9H2,1-2H3;1-5H,(H,8,9)