4-ethoxycarbonyl-2-(2-methylpropylcarbamoylamino)-2-(naphthalen-2-ylmethyl)-6-phenyl-hexanoic acid

Systemtic Name: 4-ethoxycarbonyl-2-(2-methylpropylcarbamoylamino)-2-(naphthalen-2-ylmethyl)-6-phenyl-hexanoic acid Openeye Name: 4-ethoxycarbonyl-2-(isobutylcarbamoylamino)-2-(2-naphthylmethyl)-6-phenyl-hexanoic acid CAS Name: 4-ethoxycarbonyl-2-[[(2-methylpropylamino)-oxomethyl]amino]-2-(2-naphthalenylmethyl)-6-phenylhexanoic acid IUPAC Name: 4-ethoxycarbonyl-2-(2-methylpropylcarbamoylamino)-2-(naphthalen-2-ylmethyl)-6-phenylhexanoic acid Traditional Name: 4-carbethoxy-2-(isobutylcarbamoylamino)-2-(2-naphthylmethyl)-6-phenyl-hexanoic acid Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)CC(CC2=CC3=CC=CC=C3C=C2)(C(=O)O)NC(=O)NCC(C)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)CC(CC2=CC3=CC=CC=C3C=C2)(C(=O)O)NC(=O)NCC(C)C

InChI

InChI=1S/C31H38N2O5/c1-4-38-28(34)27(17-14-23-10-6-5-7-11-23)20-31(29(35)36,33-30(37)32-21-22(2)3)19-24-15-16-25-12-8-9-13-26(25)18-24/h5-13,15-16,18,22,27H,4,14,17,19-21H2,1-3H3,(H,35,36)(H2,32,33,37)