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

Systemtic Name: 2-[5-aminocarbonyl-9-[(3,4-dimethylphenyl)methyl]carbazol-4-yl]oxy-3-methoxy-propanoic acid Openeye Name: 2-[5-carbamoyl-9-[(3,4-dimethylphenyl)methyl]carbazol-4-yl]oxy-3-methoxy-propanoic acid CAS Name: 2-[[5-carbamoyl-9-[(3,4-dimethylphenyl)methyl]-4-carbazolyl]oxy]-3-methoxypropanoic acid IUPAC Name: 2-[5-carbamoyl-9-[(3,4-dimethylphenyl)methyl]carbazol-4-yl]oxy-3-methoxypropanoic acid Traditional Name: 2-[5-carbamoyl-9-(3,4-dimethylbenzyl)carbazol-4-yl]oxy-3-methoxy-propionic acid Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C3=C(C(=CC=C3)OC(COC)C(=O)O)C4=C(C=CC=C42)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C3=C(C(=CC=C3)OC(COC)C(=O)O)C4=C(C=CC=C42)C(=O)N)C

InChI

InChI=1S/C26H26N2O5/c1-15-10-11-17(12-16(15)2)13-28-19-7-4-6-18(25(27)29)23(19)24-20(28)8-5-9-21(24)33-22(14-32-3)26(30)31/h4-12,22H,13-14H2,1-3H3,(H2,27,29)(H,30,31)