methanoic acid; N-[4-(6-methylheptan-2-ylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-3-(2-oxidanylidenepyrrolidin-1-yl)-5-propyl-benzamide

Systemtic Name: methanoic acid; N-[4-(6-methylheptan-2-ylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-3-(2-oxidanylidenepyrrolidin-1-yl)-5-propyl-benzamide Openeye Name: N-[1-benzyl-3-(1,5-dimethylhexylamino)-2-hydroxy-propyl]-3-(2-oxopyrrolidin-1-yl)-5-propyl-benzamide; formic acid CAS Name: formic acid; N-[3-hydroxy-4-(6-methylheptan-2-ylamino)-1-phenylbutan-2-yl]-3-(2-oxo-1-pyrrolidinyl)-5-propylbenzamide IUPAC Name: formic acid; N-[3-hydroxy-4-(6-methylheptan-2-ylamino)-1-phenylbutan-2-yl]-3-(2-oxopyrrolidin-1-yl)-5-propylbenzamide Traditional Name: N-[1-benzyl-3-(1,5-dimethylhexylamino)-2-hydroxy-propyl]-3-(2-ketopyrrolidino)-5-propyl-benzamide; formic acid Formula: C33H49N3O5 MolecularWeight: 567.75926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNC(C)CCCC(C)C)O)N3CCCC3=O.C(=O)O

Isomeric SMILES

CCCC1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNC(C)CCCC(C)C)O)N3CCCC3=O.C(=O)O

InChI

InChI=1S/C32H47N3O3.CH2O2/c1-5-11-26-18-27(21-28(19-26)35-17-10-16-31(35)37)32(38)34-29(20-25-14-7-6-8-15-25)30(36)22-33-24(4)13-9-12-23(2)3;2-1-3/h6-8,14-15,18-19,21,23-24,29-30,33,36H,5,9-13,16-17,20,22H2,1-4H3,(H,34,38);1H,(H,2,3)