2-[5-methoxy-1-(phenylmethyl)-2-propyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-methoxy-1-(phenylmethyl)-2-propyl-indol-3-yl]ethanoic acid Openeye Name: 2-(1-benzyl-5-methoxy-2-propyl-indol-3-yl)acetic acid CAS Name: 2-[5-methoxy-1-(phenylmethyl)-2-propyl-3-indolyl]acetic acid IUPAC Name: 2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetic acid Traditional Name: 2-(1-benzyl-5-methoxy-2-propyl-indol-3-yl)acetic acid Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C21H23NO3/c1-3-7-19-18(13-21(23)24)17-12-16(25-2)10-11-20(17)22(19)14-15-8-5-4-6-9-15/h4-6,8-12H,3,7,13-14H2,1-2H3,(H,23,24)