2-[5-aminocarbonyl-9-[(3-cyanophenyl)methyl]-2-phenyl-carbazol-4-yl]oxyethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[(3-cyanophenyl)methyl]-2-phenyl-carbazol-4-yl]oxyethanoic acid Openeye Name: 2-[5-carbamoyl-9-[(3-cyanophenyl)methyl]-2-phenyl-carbazol-4-yl]oxyacetic acid CAS Name: 2-[[5-carbamoyl-9-[(3-cyanophenyl)methyl]-2-phenyl-4-carbazolyl]oxy]acetic acid IUPAC Name: 2-[5-carbamoyl-9-[(3-cyanophenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid Traditional Name: 2-[5-carbamoyl-9-(3-cyanobenzyl)-2-phenyl-carbazol-4-yl]oxyacetic acid Formula: C29H21N3O4 MolecularWeight: 475.49474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C(=C2)OCC(=O)O)C4=C(C=CC=C4N3CC5=CC=CC(=C5)C#N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C(=C2)OCC(=O)O)C4=C(C=CC=C4N3CC5=CC=CC(=C5)C#N)C(=O)N

InChI

InChI=1S/C29H21N3O4/c30-15-18-6-4-7-19(12-18)16-32-23-11-5-10-22(29(31)35)27(23)28-24(32)13-21(20-8-2-1-3-9-20)14-25(28)36-17-26(33)34/h1-14H,16-17H2,(H2,31,35)(H,33,34)