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

Systemtic Name: 2-[2-(furan-2-ylmethylamino)-1-(phenylmethyl)indol-3-yl]ethanoic acid Openeye Name: 2-[1-benzyl-2-(2-furylmethylamino)indol-3-yl]acetic acid CAS Name: 2-[2-(2-furanylmethylamino)-1-(phenylmethyl)-3-indolyl]acetic acid IUPAC Name: 2-[1-benzyl-2-(furan-2-ylmethylamino)indol-3-yl]acetic acid Traditional Name: 2-[1-benzyl-2-(2-furfurylamino)indol-3-yl]acetic acid Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2NCC4=CC=CO4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2NCC4=CC=CO4)CC(=O)O

InChI

InChI=1S/C22H20N2O3/c25-21(26)13-19-18-10-4-5-11-20(18)24(15-16-7-2-1-3-8-16)22(19)23-14-17-9-6-12-27-17/h1-12,23H,13-15H2,(H,25,26)