2-[3-[cyano(phenethyl)carbamoyl]-3-methyl-2,4-dihydro-1H-carbazol-9-yl]ethanoic acid

Systemtic Name: 2-[3-[cyano(phenethyl)carbamoyl]-3-methyl-2,4-dihydro-1H-carbazol-9-yl]ethanoic acid Openeye Name: 2-[3-[cyano(phenethyl)carbamoyl]-3-methyl-2,4-dihydro-1H-carbazol-9-yl]acetic acid CAS Name: 2-[3-[[cyano(phenethyl)amino]-oxomethyl]-3-methyl-2,4-dihydro-1H-carbazol-9-yl]acetic acid IUPAC Name: 2-[3-[cyano(phenethyl)carbamoyl]-3-methyl-2,4-dihydro-1H-carbazol-9-yl]acetic acid Traditional Name: 2-[3-[cyano(phenethyl)carbamoyl]-3-methyl-2,4-dihydro-1H-carbazol-9-yl]acetic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(C1)C3=CC=CC=C3N2CC(=O)O)C(=O)N(CCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1(CCC2=C(C1)C3=CC=CC=C3N2CC(=O)O)C(=O)N(CCC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H25N3O3/c1-25(24(31)27(17-26)14-12-18-7-3-2-4-8-18)13-11-22-20(15-25)19-9-5-6-10-21(19)28(22)16-23(29)30/h2-10H,11-16H2,1H3,(H,29,30)