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

Systemtic Name: methyl 2-[3-(C-aminocarbonyl-N-methyl-carbonimidoyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]oxyethanoate Openeye Name: methyl 2-[1-benzyl-3-(C-carbamoyl-N-methyl-carbonimidoyl)-2-ethyl-indol-4-yl]oxyacetate CAS Name: 2-[[3-(2-amino-1-methylimino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[1-benzyl-3-(C-carbamoyl-N-methylcarbonimidoyl)-2-ethylindol-4-yl]oxyacetate Traditional Name: 2-[1-benzyl-3-(C-carbamoyl-N-methyl-carbonimidoyl)-2-ethyl-indol-4-yl]oxyacetic acid methyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-4-16-21(22(25-2)23(24)28)20-17(26(16)13-15-9-6-5-7-10-15)11-8-12-18(20)30-14-19(27)29-3/h5-12H,4,13-14H2,1-3H3,(H2,24,28)