1-ethoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]piperidine-4-carboxylic acid

Systemtic Name: 1-ethoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]piperidine-4-carboxylic acid Openeye Name: 1-ethoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-4-carboxylic acid CAS Name: 1-ethoxycarbonyl-4-[[oxo-[3-[[oxo-(2,4,6-trimethylanilino)methyl]amino]-2-naphthalenyl]methyl]amino]-4-piperidinecarboxylic acid IUPAC Name: 1-ethoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-4-carboxylic acid Traditional Name: 1-carbethoxy-4-[[3-(mesitylcarbamoylamino)-2-naphthoyl]amino]isonipecotic acid Formula: C30H34N4O6 MolecularWeight: 546.61416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)(C(=O)O)NC(=O)C2=CC3=CC=CC=C3C=C2NC(=O)NC4=C(C=C(C=C4C)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)(C(=O)O)NC(=O)C2=CC3=CC=CC=C3C=C2NC(=O)NC4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C30H34N4O6/c1-5-40-29(39)34-12-10-30(11-13-34,27(36)37)33-26(35)23-16-21-8-6-7-9-22(21)17-24(23)31-28(38)32-25-19(3)14-18(2)15-20(25)4/h6-9,14-17H,5,10-13H2,1-4H3,(H,33,35)(H,36,37)(H2,31,32,38)