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

Systemtic Name: 4-[[5-[4-[(5-tert-butyl-2-methoxy-phenyl)carbamoylamino]naphthalen-1-yl]pyridin-2-yl]methyl]piperazine-1-carboxylic acid Openeye Name: 4-[[5-[4-[(5-tert-butyl-2-methoxy-phenyl)carbamoylamino]-1-naphthyl]-2-pyridyl]methyl]piperazine-1-carboxylic acid CAS Name: 4-[[5-[4-[[(5-tert-butyl-2-methoxyanilino)-oxomethyl]amino]-1-naphthalenyl]-2-pyridinyl]methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[[5-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]pyridin-2-yl]methyl]piperazine-1-carboxylic acid Traditional Name: 4-[[5-[4-[(5-tert-butyl-2-methoxy-phenyl)carbamoylamino]-1-naphthyl]-2-pyridyl]methyl]piperazine-1-carboxylic acid Formula: C33H37N5O4 MolecularWeight: 567.67798

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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)CN5CCN(CC5)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)CN5CCN(CC5)C(=O)O

InChI

InChI=1S/C33H37N5O4/c1-33(2,3)23-10-14-30(42-4)29(19-23)36-31(39)35-28-13-12-25(26-7-5-6-8-27(26)28)22-9-11-24(34-20-22)21-37-15-17-38(18-16-37)32(40)41/h5-14,19-20H,15-18,21H2,1-4H3,(H,40,41)(H2,35,36,39)