6-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]naphthalene-2-carboxylic acid Openeye Name: 6-[5-(4,7-dimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]naphthalene-2-carboxylic acid CAS Name: 6-[5-(4,7-dimethyl-2-benzofuranyl)-1H-pyrrol-2-yl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]naphthalene-2-carboxylic acid Traditional Name: 6-[5-(4,7-dimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]-2-naphthoic acid Formula: C25H19NO3 MolecularWeight: 381.42326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(OC2=C(C=C1)C)C3=CC=C(N3)C4=CC5=C(C=C4)C=C(C=C5)C(=O)O

Isomeric SMILES

CC1=C2C=C(OC2=C(C=C1)C)C3=CC=C(N3)C4=CC5=C(C=C4)C=C(C=C5)C(=O)O

InChI

InChI=1S/C25H19NO3/c1-14-3-4-15(2)24-20(14)13-23(29-24)22-10-9-21(26-22)18-7-5-17-12-19(25(27)28)8-6-16(17)11-18/h3-13,26H,1-2H3,(H,27,28)