2-[5-aminocarbonyl-9-[[3-(phenylmethyl)phenyl]methyl]carbazol-4-yl]oxy-2-thiophen-2-yl-ethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[[3-(phenylmethyl)phenyl]methyl]carbazol-4-yl]oxy-2-thiophen-2-yl-ethanoic acid Openeye Name: 2-[9-[(3-benzylphenyl)methyl]-5-carbamoyl-carbazol-4-yl]oxy-2-(2-thienyl)acetic acid CAS Name: 2-[[5-carbamoyl-9-[[3-(phenylmethyl)phenyl]methyl]-4-carbazolyl]oxy]-2-thiophen-2-ylacetic acid IUPAC Name: 2-[9-[(3-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxy-2-thiophen-2-ylacetic acid Traditional Name: 2-[9-(3-benzylbenzyl)-5-carbamoyl-carbazol-4-yl]oxy-2-(2-thienyl)acetic acid Formula: C33H26N2O4S MolecularWeight: 546.63554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CC=C2)CN3C4=C(C(=CC=C4)OC(C5=CC=CS5)C(=O)O)C6=C(C=CC=C63)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CC=C2)CN3C4=C(C(=CC=C4)OC(C5=CC=CS5)C(=O)O)C6=C(C=CC=C63)C(=O)N

InChI

InChI=1S/C33H26N2O4S/c34-32(36)24-12-5-13-25-29(24)30-26(14-6-15-27(30)39-31(33(37)38)28-16-7-17-40-28)35(25)20-23-11-4-10-22(19-23)18-21-8-2-1-3-9-21/h1-17,19,31H,18,20H2,(H2,34,36)(H,37,38)