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

Systemtic Name: 2-[3-[2-cyanoethyl-(phenylmethyl)carbamoyl]-3-methyl-2,4-dihydro-1H-carbazol-9-yl]ethanoic acid Openeye Name: 2-[3-[benzyl(2-cyanoethyl)carbamoyl]-3-methyl-2,4-dihydro-1H-carbazol-9-yl]acetic acid CAS Name: 2-[3-[[2-cyanoethyl-(phenylmethyl)amino]-oxomethyl]-3-methyl-2,4-dihydro-1H-carbazol-9-yl]acetic acid IUPAC Name: 2-[3-[benzyl(2-cyanoethyl)carbamoyl]-3-methyl-2,4-dihydro-1H-carbazol-9-yl]acetic acid Traditional Name: 2-[3-[benzyl(2-cyanoethyl)carbamoyl]-3-methyl-2,4-dihydro-1H-carbazol-9-yl]acetic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(C1)C3=CC=CC=C3N2CC(=O)O)C(=O)N(CCC#N)CC4=CC=CC=C4

Isomeric SMILES

CC1(CCC2=C(C1)C3=CC=CC=C3N2CC(=O)O)C(=O)N(CCC#N)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3/c1-26(25(32)28(15-7-14-27)17-19-8-3-2-4-9-19)13-12-23-21(16-26)20-10-5-6-11-22(20)29(23)18-24(30)31/h2-6,8-11H,7,12-13,15-18H2,1H3,(H,30,31)