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

Systemtic Name: 2-[5-aminocarbonyl-9-[(3-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxy-3-methoxy-propanoic acid Openeye Name: 2-[9-[(3-benzyloxyphenyl)methyl]-5-carbamoyl-carbazol-4-yl]oxy-3-methoxy-propanoic acid CAS Name: 2-[[5-carbamoyl-9-[(3-phenylmethoxyphenyl)methyl]-4-carbazolyl]oxy]-3-methoxypropanoic acid IUPAC Name: 2-[5-carbamoyl-9-[(3-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxy-3-methoxypropanoic acid Traditional Name: 2-[9-(3-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=C4)OCC5=CC=CC=C5)C(=O)N

Isomeric SMILES

COCC(C(=O)O)OC1=CC=CC2=C1C3=C(C=CC=C3N2CC4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)N

InChI

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