methyl 3-[4-aminocarbonyl-1-(cyclohexylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(cyclohexylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-1-(cyclohexylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-1-(cyclohexylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-1-(cyclohexylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-1-(cyclohexylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2CCCCC2)CCC(=O)OC)C3=CC4=C(C=C3)OCCO4)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2CCCCC2)CCC(=O)OC)C3=CC4=C(C=C3)OCCO4)C(=O)N

InChI

InChI=1S/C25H32N2O5/c1-16-23(25(26)29)24(18-8-10-20-21(14-18)32-13-12-31-20)19(9-11-22(28)30-2)27(16)15-17-6-4-3-5-7-17/h8,10,14,17H,3-7,9,11-13,15H2,1-2H3,(H2,26,29)