2-[2-(1-phenylbutylamino)-1-(phenylmethyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(1-phenylbutylamino)-1-(phenylmethyl)indol-3-yl]ethanoic acid Openeye Name: 2-[1-benzyl-2-(1-phenylbutylamino)indol-3-yl]acetic acid CAS Name: 2-[2-(1-phenylbutylamino)-1-(phenylmethyl)-3-indolyl]acetic acid IUPAC Name: 2-[1-benzyl-2-(1-phenylbutylamino)indol-3-yl]acetic acid Traditional Name: 2-[1-benzyl-2-(1-phenylbutylamino)indol-3-yl]acetic acid Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C27H28N2O2/c1-2-11-24(21-14-7-4-8-15-21)28-27-23(18-26(30)31)22-16-9-10-17-25(22)29(27)19-20-12-5-3-6-13-20/h3-10,12-17,24,28H,2,11,18-19H2,1H3,(H,30,31)