1-[1-(2-aminocarbonylpyrrol-1-yl)-1,4-bis(dimethylamino)-4-oxidanylidene-butyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[1-(2-aminocarbonylpyrrol-1-yl)-1,4-bis(dimethylamino)-4-oxidanylidene-butyl]pyrrole-2-carboxylic acid Openeye Name: 1-[1-(2-carbamoylpyrrol-1-yl)-1,4-bis(dimethylamino)-4-oxo-butyl]pyrrole-2-carboxylic acid CAS Name: 1-[1-(2-carbamoyl-1-pyrrolyl)-1,4-bis(dimethylamino)-4-oxobutyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[1-(2-carbamoylpyrrol-1-yl)-1,4-bis(dimethylamino)-4-oxobutyl]pyrrole-2-carboxylic acid Traditional Name: 1-[1-(2-carbamoylpyrrol-1-yl)-1,4-bis(dimethylamino)-4-keto-butyl]pyrrole-2-carboxylic acid Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC(N1C=CC=C1C(=O)N)(N2C=CC=C2C(=O)O)N(C)C

Isomeric SMILES

CN(C)C(=O)CCC(N1C=CC=C1C(=O)N)(N2C=CC=C2C(=O)O)N(C)C

InChI

InChI=1S/C18H25N5O4/c1-20(2)15(24)9-10-18(21(3)4,22-11-5-7-13(22)16(19)25)23-12-6-8-14(23)17(26)27/h5-8,11-12H,9-10H2,1-4H3,(H2,19,25)(H,26,27)