dimethyl 2-[1-[(4-ethoxyphenyl)methyl]-4-(oxaldehydoylamino)pyrrol-3-yl]heptanedioate

Systemtic Name: dimethyl 2-[1-[(4-ethoxyphenyl)methyl]-4-(oxaldehydoylamino)pyrrol-3-yl]heptanedioate Openeye Name: dimethyl 2-[1-[(4-ethoxyphenyl)methyl]-4-(oxaldehydoylamino)pyrrol-3-yl]heptanedioate CAS Name: 2-[1-[(4-ethoxyphenyl)methyl]-4-(oxaldehydoylamino)-3-pyrrolyl]heptanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-[(4-ethoxyphenyl)methyl]-4-(oxaldehydoylamino)pyrrol-3-yl]heptanedioate Traditional Name: 2-[1-(4-ethoxybenzyl)-4-(glyoxyloylamino)pyrrol-3-yl]pimelic acid dimethyl ester Formula: C24H30N2O7 MolecularWeight: 458.5042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C=C(C(=C2)NC(=O)C=O)C(CCCCC(=O)OC)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C=C(C(=C2)NC(=O)C=O)C(CCCCC(=O)OC)C(=O)OC

InChI

InChI=1S/C24H30N2O7/c1-4-33-18-11-9-17(10-12-18)13-26-14-20(21(15-26)25-22(28)16-27)19(24(30)32-3)7-5-6-8-23(29)31-2/h9-12,14-16,19H,4-8,13H2,1-3H3,(H,25,28)