1-[[4-[(3-methylbutylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid

Systemtic Name: 1-[[4-[(3-methylbutylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid Openeye Name: 1-[[4-[(isopentylamino)methyl]phenyl]methyl]indoline-5-carboxylic acid CAS Name: 1-[[4-[(3-methylbutylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid IUPAC Name: 1-[[4-[(3-methylbutylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxylic acid Traditional Name: 1-[4-[(isoamylamino)methyl]benzyl]indoline-5-carboxylic acid Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=CC=C(C=C1)CN2CCC3=C2C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)CCNCC1=CC=C(C=C1)CN2CCC3=C2C=CC(=C3)C(=O)O

InChI

InChI=1S/C22H28N2O2/c1-16(2)9-11-23-14-17-3-5-18(6-4-17)15-24-12-10-19-13-20(22(25)26)7-8-21(19)24/h3-8,13,16,23H,9-12,14-15H2,1-2H3,(H,25,26)