2-[3,4-bis(phenylmethyl)-1-propyl-indol-5-yl]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[3,4-bis(phenylmethyl)-1-propyl-indol-5-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-(3,4-dibenzyl-1-propyl-indol-5-yl)oxy-2-methyl-propanoic acid CAS Name: 2-[[3,4-bis(phenylmethyl)-1-propyl-5-indolyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-(3,4-dibenzyl-1-propylindol-5-yl)oxy-2-methylpropanoic acid Traditional Name: 2-(3,4-dibenzyl-1-propyl-indol-5-yl)oxy-2-methyl-propionic acid Formula: C29H31NO3 MolecularWeight: 441.56134

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2CC3=CC=CC=C3)OC(C)(C)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2CC3=CC=CC=C3)OC(C)(C)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C29H31NO3/c1-4-17-30-20-23(18-21-11-7-5-8-12-21)27-24(19-22-13-9-6-10-14-22)26(16-15-25(27)30)33-29(2,3)28(31)32/h5-16,20H,4,17-19H2,1-3H3,(H,31,32)