3-methoxy-4-[3-methyl-4-oxidanylidene-4-(propylamino)-1-(3-propylindol-1-yl)butyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=CC=CC=C21)C(CC(C)C(=O)NCCC)C3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCC1=CN(C2=CC=CC=C21)C(CC(C)C(=O)NCCC)C3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C27H34N2O4/c1-5-9-20-17-29(23-11-8-7-10-21(20)23)24(15-18(3)26(30)28-14-6-2)22-13-12-19(27(31)32)16-25(22)33-4/h7-8,10-13,16-18,24H,5-6,9,14-15H2,1-4H3,(H,28,30)(H,31,32)