2-[3-(C-aminocarbonyl-N-methyl-carbonimidoyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[3-(C-aminocarbonyl-N-methyl-carbonimidoyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[1-benzyl-3-(C-carbamoyl-N-methyl-carbonimidoyl)-2-ethyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-(2-amino-1-methylimino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[1-benzyl-3-(C-carbamoyl-N-methylcarbonimidoyl)-2-ethylindol-4-yl]oxyacetic acid Traditional Name: 2-[1-benzyl-3-(C-carbamoyl-N-methyl-carbonimidoyl)-2-ethyl-indol-4-yl]oxyacetic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=NC)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=NC)C(=O)N

InChI

InChI=1S/C22H23N3O4/c1-3-15-20(21(24-2)22(23)28)19-16(10-7-11-17(19)29-13-18(26)27)25(15)12-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3,(H2,23,28)(H,26,27)