2-[2-[[(E)-6-(1,3-benzoxazol-2-yl)-3-[4-(methylcarbamoyl)phenyl]hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[[(E)-6-(1,3-benzoxazol-2-yl)-3-[4-(methylcarbamoyl)phenyl]hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[[(E)-5-(1,3-benzoxazol-2-yl)-1-methyl-2-[4-(methylcarbamoyl)phenyl]pent-4-enyl]-(2-naphthylmethyl)amino]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[[(E)-6-(1,3-benzoxazol-2-yl)-3-[4-(methylcarbamoyl)phenyl]hex-5-en-2-yl]-(2-naphthalenylmethyl)amino]-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[[(E)-6-(1,3-benzoxazol-2-yl)-3-[4-(methylcarbamoyl)phenyl]hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[[(E)-5-(1,3-benzoxazol-2-yl)-1-methyl-2-[4-(methylcarbamoyl)phenyl]pent-4-enyl]-(2-naphthylmethyl)amino]-2-keto-ethyl]succinic acid Formula: C38H37N3O7 MolecularWeight: 647.71628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=CC1=NC2=CC=CC=C2O1)C3=CC=C(C=C3)C(=O)NC)N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C(C/C=C/C1=NC2=CC=CC=C2O1)C3=CC=C(C=C3)C(=O)NC)N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C38H37N3O7/c1-24(41(35(42)21-30(38(46)47)22-36(43)44)23-25-14-15-26-8-3-4-9-29(26)20-25)31(27-16-18-28(19-17-27)37(45)39-2)10-7-13-34-40-32-11-5-6-12-33(32)48-34/h3-9,11-20,24,30-31H,10,21-23H2,1-2H3,(H,39,45)(H,43,44)(H,46,47)/b13-7+