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

Systemtic Name: 3-butyl-5-[(4-butyl-5-carboxy-3-methyl-1H-pyrrol-2-yl)-phenyl-methyl]-4-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-butyl-5-[(4-butyl-5-carboxy-3-methyl-1H-pyrrol-2-yl)-phenyl-methyl]-4-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-butyl-5-[(4-butyl-5-carboxy-3-methyl-1H-pyrrol-2-yl)-phenylmethyl]-4-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-butyl-5-[(4-butyl-5-carboxy-3-methyl-1H-pyrrol-2-yl)-phenylmethyl]-4-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-butyl-5-[(4-butyl-5-carboxy-3-methyl-1H-pyrrol-2-yl)-phenyl-methyl]-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=C1C)C(C2=CC=CC=C2)C3=C(C(=C(N3)C(=O)O)CCCC)C)C(=O)O

Isomeric SMILES

CCCCC1=C(NC(=C1C)C(C2=CC=CC=C2)C3=C(C(=C(N3)C(=O)O)CCCC)C)C(=O)O

InChI

InChI=1S/C27H34N2O4/c1-5-7-14-19-16(3)22(28-24(19)26(30)31)21(18-12-10-9-11-13-18)23-17(4)20(15-8-6-2)25(29-23)27(32)33/h9-13,21,28-29H,5-8,14-15H2,1-4H3,(H,30,31)(H,32,33)