2-[2-(4-phenylbutylamino)-1-(phenylmethyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(4-phenylbutylamino)-1-(phenylmethyl)indol-3-yl]ethanoic acid Openeye Name: 2-[1-benzyl-2-(4-phenylbutylamino)indol-3-yl]acetic acid CAS Name: 2-[2-(4-phenylbutylamino)-1-(phenylmethyl)-3-indolyl]acetic acid IUPAC Name: 2-[1-benzyl-2-(4-phenylbutylamino)indol-3-yl]acetic acid Traditional Name: 2-[1-benzyl-2-(4-phenylbutylamino)indol-3-yl]acetic acid Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C27H28N2O2/c30-26(31)19-24-23-16-7-8-17-25(23)29(20-22-14-5-2-6-15-22)27(24)28-18-10-9-13-21-11-3-1-4-12-21/h1-8,11-12,14-17,28H,9-10,13,18-20H2,(H,30,31)