3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-1-yl]-5-(methoxycarbonylamino)benzoic acid

Systemtic Name: 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-1-yl]-5-(methoxycarbonylamino)benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-chloro-phenyl)-5-methyl-pyrrol-1-yl]-5-(methoxycarbonylamino)benzoic acid CAS Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methyl-1-pyrrolyl]-5-(methoxycarbonylamino)benzoic acid IUPAC Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-5-(methoxycarbonylamino)benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-chloro-phenyl)-5-methyl-pyrrol-1-yl]-5-(carbomethoxyamino)benzoic acid Formula: C27H23ClN2O5 MolecularWeight: 490.93492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=CC(=C2)C(=O)O)NC(=O)OC)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(N1C2=CC(=CC(=C2)C(=O)O)NC(=O)OC)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C27H23ClN2O5/c1-17-8-10-24(23-14-20(28)9-11-25(23)35-16-18-6-4-3-5-7-18)30(17)22-13-19(26(31)32)12-21(15-22)29-27(33)34-2/h3-15H,16H2,1-2H3,(H,29,33)(H,31,32)