1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-phenyl-isonipecotic acid Formula: C29H30N6O4 MolecularWeight: 526.5863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H30N6O4/c1-19(36)30-14-15-31-25-22-18-23(32-26(22)34-24(33-25)20-8-4-2-5-9-20)27(37)35-16-12-29(13-17-35,28(38)39)21-10-6-3-7-11-21/h2-11,18H,12-17H2,1H3,(H,30,36)(H,38,39)(H2,31,32,33,34)