2-[5-aminocarbonyl-9-[(2-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxy-3-methoxy-propanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[(2-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxy-3-methoxy-propanoic acid Openeye Name: 2-[9-[(2-benzyloxyphenyl)methyl]-5-carbamoyl-carbazol-4-yl]oxy-3-methoxy-propanoic acid CAS Name: 2-[[5-carbamoyl-9-[(2-phenylmethoxyphenyl)methyl]-4-carbazolyl]oxy]-3-methoxypropanoic acid IUPAC Name: 2-[5-carbamoyl-9-[(2-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxy-3-methoxypropanoic acid Traditional Name: 2-[9-(2-benzoxybenzyl)-5-carbamoyl-carbazol-4-yl]oxy-3-methoxy-propionic acid Formula: C31H28N2O6 MolecularWeight: 524.56382

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C(=O)O)OC1=CC=CC2=C1C3=C(C=CC=C3N2CC4=CC=CC=C4OCC5=CC=CC=C5)C(=O)N

Isomeric SMILES

COCC(C(=O)O)OC1=CC=CC2=C1C3=C(C=CC=C3N2CC4=CC=CC=C4OCC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C31H28N2O6/c1-37-19-27(31(35)36)39-26-16-8-14-24-29(26)28-22(30(32)34)12-7-13-23(28)33(24)17-21-11-5-6-15-25(21)38-18-20-9-3-2-4-10-20/h2-16,27H,17-19H2,1H3,(H2,32,34)(H,35,36)