5-[2-(3,4-dimethoxyphenyl)ethyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-5-oxopentanoic acid Traditional Name: 5-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl-homoveratryl-amino]-5-keto-valeric acid Formula: C25H34N2O7 MolecularWeight: 474.54666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CCCC(=O)O)C

InChI

InChI=1S/C25H34N2O7/c1-6-34-25(31)24-16(2)19(17(3)26-24)15-27(22(28)8-7-9-23(29)30)13-12-18-10-11-20(32-4)21(14-18)33-5/h10-11,14,26H,6-9,12-13,15H2,1-5H3,(H,29,30)