O1-methyl O5-octan-3-yl 4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)-2-methyl-2-(2-phenylbutyl)pentanedioate

Systemtic Name: O1-methyl O5-octan-3-yl 4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)-2-methyl-2-(2-phenylbutyl)pentanedioate Openeye Name: O5-(1-ethylhexyl) O1-methyl 4-(3-amino-2-methyl-3-oxo-propyl)-2-methyl-2-(2-phenylbutyl)pentanedioate CAS Name: 4-(3-amino-2-methyl-3-oxopropyl)-2-methyl-2-(2-phenylbutyl)pentanedioic acid O1-methyl ester O5-octan-3-yl ester IUPAC Name: 1-O-methyl 5-O-octan-3-yl 4-(3-amino-2-methyl-3-oxopropyl)-2-methyl-2-(2-phenylbutyl)pentanedioate Traditional Name: 4-(3-amino-3-keto-2-methyl-propyl)-2-methyl-2-(2-phenylbutyl)glutaric acid O5-(1-ethylhexyl) ester O1-methyl ester Formula: C29H47NO5 MolecularWeight: 489.68718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C(CC(C)C(=O)N)CC(C)(CC(CC)C1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCCCCC(CC)OC(=O)C(CC(C)C(=O)N)CC(C)(CC(CC)C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C29H47NO5/c1-7-10-12-17-25(9-3)35-27(32)24(18-21(4)26(30)31)20-29(5,28(33)34-6)19-22(8-2)23-15-13-11-14-16-23/h11,13-16,21-22,24-25H,7-10,12,17-20H2,1-6H3,(H2,30,31)