1-[[5-[4-[(5-tert-butyl-2-methoxy-phenyl)carbamoylamino]naphthalen-1-yl]pyridin-2-yl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[5-[4-[(5-tert-butyl-2-methoxy-phenyl)carbamoylamino]naphthalen-1-yl]pyridin-2-yl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[5-[4-[(5-tert-butyl-2-methoxy-phenyl)carbamoylamino]-1-naphthyl]-2-pyridyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[[5-[4-[[(5-tert-butyl-2-methoxyanilino)-oxomethyl]amino]-1-naphthalenyl]-2-pyridinyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[5-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]pyridin-2-yl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[[5-[4-[(5-tert-butyl-2-methoxy-phenyl)carbamoylamino]-1-naphthyl]-2-pyridyl]methyl]nipecotic acid Formula: C34H38N4O4 MolecularWeight: 566.68992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CN=C(C=C4)CN5CCCC(C5)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CN=C(C=C4)CN5CCCC(C5)C(=O)O

InChI

InChI=1S/C34H38N4O4/c1-34(2,3)24-12-16-31(42-4)30(18-24)37-33(41)36-29-15-14-26(27-9-5-6-10-28(27)29)22-11-13-25(35-19-22)21-38-17-7-8-23(20-38)32(39)40/h5-6,9-16,18-19,23H,7-8,17,20-21H2,1-4H3,(H,39,40)(H2,36,37,41)