methyl 7-[[5-(C-ethoxycarbonimidoyl)-1-methyl-indol-2-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[5-(C-ethoxycarbonimidoyl)-1-methyl-indol-2-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[5-(ethoxycarbonimidoyl)-1-methyl-indole-2-carbonyl]amino]heptanoate CAS Name: 7-[[[5-[ethoxy(imino)methyl]-1-methyl-2-indolyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[5-(C-ethoxycarbonimidoyl)-1-methylindole-2-carbonyl]amino]heptanoate Traditional Name: 7-[[5-(ethoxycarbonimidoyl)-1-methyl-indole-2-carbonyl]amino]enanthic acid methyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C1=CC2=C(C=C1)N(C(=C2)C(=O)NCCCCCCC(=O)OC)C

Isomeric SMILES

CCOC(=N)C1=CC2=C(C=C1)N(C(=C2)C(=O)NCCCCCCC(=O)OC)C

InChI

InChI=1S/C21H29N3O4/c1-4-28-20(22)15-10-11-17-16(13-15)14-18(24(17)2)21(26)23-12-8-6-5-7-9-19(25)27-3/h10-11,13-14,22H,4-9,12H2,1-3H3,(H,23,26)