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

Systemtic Name: 2-[1-(phenylmethyl)-2-(pyridin-3-ylmethylamino)indol-3-yl]ethanoic acid Openeye Name: 2-[1-benzyl-2-(3-pyridylmethylamino)indol-3-yl]acetic acid CAS Name: 2-[1-(phenylmethyl)-2-(3-pyridinylmethylamino)-3-indolyl]acetic acid IUPAC Name: 2-[1-benzyl-2-(pyridin-3-ylmethylamino)indol-3-yl]acetic acid Traditional Name: 2-[1-benzyl-2-(3-pyridylmethylamino)indol-3-yl]acetic acid Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2NCC4=CN=CC=C4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2NCC4=CN=CC=C4)CC(=O)O

InChI

InChI=1S/C23H21N3O2/c27-22(28)13-20-19-10-4-5-11-21(19)26(16-17-7-2-1-3-8-17)23(20)25-15-18-9-6-12-24-14-18/h1-12,14,25H,13,15-16H2,(H,27,28)