2-[1-[(4-chlorophenyl)methyl]-5-hexoxy-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]-5-hexoxy-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-5-hexoxy-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[(4-chlorophenyl)methyl]-5-hexoxy-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-5-hexoxy-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(4-chlorobenzyl)-5-hexoxy-2-methyl-indol-3-yl]acetic acid Formula: C24H28ClNO3 MolecularWeight: 413.93702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H28ClNO3/c1-3-4-5-6-13-29-20-11-12-23-22(14-20)21(15-24(27)28)17(2)26(23)16-18-7-9-19(25)10-8-18/h7-12,14H,3-6,13,15-16H2,1-2H3,(H,27,28)