3-methoxy-2-[[4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-2-[[4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]indol-1-yl]methyl]benzoic acid Openeye Name: 2-[[4-[2-(isobutylamino)-2-oxo-ethyl]indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-2-[[4-[2-(2-methylpropylamino)-2-oxoethyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-2-[[4-[2-(2-methylpropylamino)-2-oxoethyl]indol-1-yl]methyl]benzoic acid Traditional Name: 2-[[4-[2-(isobutylamino)-2-keto-ethyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CC1=C2C=CN(C2=CC=C1)CC3=C(C=CC=C3OC)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)CC1=C2C=CN(C2=CC=C1)CC3=C(C=CC=C3OC)C(=O)O

InChI

InChI=1S/C23H26N2O4/c1-15(2)13-24-22(26)12-16-6-4-8-20-17(16)10-11-25(20)14-19-18(23(27)28)7-5-9-21(19)29-3/h4-11,15H,12-14H2,1-3H3,(H,24,26)(H,27,28)