O1-(4-naphthalen-2-ylbutanoylamino) O6-(phenylmethyl) 2-[[3-(phenylmethyl)naphthalen-2-yl]carbonylamino]hexanedioate

Systemtic Name: O1-(4-naphthalen-2-ylbutanoylamino) O6-(phenylmethyl) 2-[[3-(phenylmethyl)naphthalen-2-yl]carbonylamino]hexanedioate Openeye Name: O6-benzyl O1-[4-(2-naphthyl)butanoylamino] 2-[(3-benzylnaphthalene-2-carbonyl)amino]hexanedioate CAS Name: 2-[[oxo-[3-(phenylmethyl)-2-naphthalenyl]methyl]amino]hexanedioic acid O1-[[4-(2-naphthalenyl)-1-oxobutyl]amino] ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(4-naphthalen-2-ylbutanoylamino) 2-[(3-benzylnaphthalene-2-carbonyl)amino]hexanedioate Traditional Name: 2-[(3-benzyl-2-naphthoyl)amino]adipic acid O6-benzyl ester O1-[4-(2-naphthyl)butanoylamino] ester Formula: C45H42N2O6 MolecularWeight: 706.82478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=CC=CC=C3C=C2C(=O)NC(CCCC(=O)OCC4=CC=CC=C4)C(=O)ONC(=O)CCCC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=CC=CC=C3C=C2C(=O)NC(CCCC(=O)OCC4=CC=CC=C4)C(=O)ONC(=O)CCCC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C45H42N2O6/c48-42(23-11-17-33-25-26-35-18-7-8-19-36(35)27-33)47-53-45(51)41(22-12-24-43(49)52-31-34-15-5-2-6-16-34)46-44(50)40-30-38-21-10-9-20-37(38)29-39(40)28-32-13-3-1-4-14-32/h1-10,13-16,18-21,25-27,29-30,41H,11-12,17,22-24,28,31H2,(H,46,50)(H,47,48)