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

Systemtic Name: 4-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]naphthalene-1-carboxylic acid Openeye Name: 4-[5-(4,7-dimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]naphthalene-1-carboxylic acid CAS Name: 4-[5-(4,7-dimethyl-2-benzofuranyl)-1H-pyrrol-2-yl]-1-naphthalenecarboxylic acid IUPAC Name: 4-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]naphthalene-1-carboxylic acid Traditional Name: 4-[5-(4,7-dimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]-1-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=CC=C(C5=CC=CC=C54)C(=O)O

Isomeric SMILES

CC1=C2C=C(OC2=C(C=C1)C)C3=CC=C(N3)C4=CC=C(C5=CC=CC=C54)C(=O)O

InChI

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