3-methoxy-4-[[6-[2-methyl-3-oxidanylidene-3-(propylamino)propyl]-3-propyl-indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-[2-methyl-3-oxidanylidene-3-(propylamino)propyl]-3-propyl-indol-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[6-[2-methyl-3-oxo-3-(propylamino)propyl]-3-propyl-indol-1-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[6-[2-methyl-3-oxo-3-(propylamino)propyl]-3-propyl-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-[2-methyl-3-oxo-3-(propylamino)propyl]-3-propylindol-1-yl]methyl]benzoic acid Traditional Name: 4-[[6-[3-keto-2-methyl-3-(propylamino)propyl]-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=C1C=CC(=C2)CC(C)C(=O)NCCC)CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCC1=CN(C2=C1C=CC(=C2)CC(C)C(=O)NCCC)CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C27H34N2O4/c1-5-7-21-16-29(17-22-10-9-20(27(31)32)15-25(22)33-4)24-14-19(8-11-23(21)24)13-18(3)26(30)28-12-6-2/h8-11,14-16,18H,5-7,12-13,17H2,1-4H3,(H,28,30)(H,31,32)