benzoic acid; [2-[3-(tert-butylamino)propoxy]phenyl]-(1H-indol-4-yl)methanone

Systemtic Name: benzoic acid; [2-[3-(tert-butylamino)propoxy]phenyl]-(1H-indol-4-yl)methanone Openeye Name: benzoic acid; [2-[3-(tert-butylamino)propoxy]phenyl]-(1H-indol-4-yl)methanone CAS Name: benzoic acid; [2-[3-(tert-butylamino)propoxy]phenyl]-(1H-indol-4-yl)methanone IUPAC Name: benzoic acid; [2-[3-(tert-butylamino)propoxy]phenyl]-(1H-indol-4-yl)methanone Traditional Name: benzoic acid; [2-[3-(tert-butylamino)propoxy]phenyl]-(1H-indol-4-yl)methanone Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCCOC1=CC=CC=C1C(=O)C2=C3C=CNC3=CC=C2.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)NCCCOC1=CC=CC=C1C(=O)C2=C3C=CNC3=CC=C2.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C22H26N2O2.C7H6O2/c1-22(2,3)24-13-7-15-26-20-11-5-4-8-18(20)21(25)17-9-6-10-19-16(17)12-14-23-19;8-7(9)6-4-2-1-3-5-6/h4-6,8-12,14,23-24H,7,13,15H2,1-3H3;1-5H,(H,8,9)