5-[[5-[(5-carboxy-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[[5-[(5-carboxy-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[[5-[(5-carboxy-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-[[5-[(5-carboxy-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[[5-[(5-carboxy-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[[5-[(5-carboxy-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1CC)CC2=CC(=C(N2)C(=O)O)C)CC3=CC(=C(N3)C(=O)O)C

Isomeric SMILES

CCC1=C(NC(=C1CC)CC2=CC(=C(N2)C(=O)O)C)CC3=CC(=C(N3)C(=O)O)C

InChI

InChI=1S/C22H27N3O4/c1-5-15-16(6-2)18(10-14-8-12(4)20(24-14)22(28)29)25-17(15)9-13-7-11(3)19(23-13)21(26)27/h7-8,23-25H,5-6,9-10H2,1-4H3,(H,26,27)(H,28,29)