tert-butyl N-[(2S,3R,4S)-3-methanoyl-2-methyl-7-methylidene-1-phenylmethoxy-undecan-4-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R,4S)-3-methanoyl-2-methyl-7-methylidene-1-phenylmethoxy-undecan-4-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(1R,2S)-3-benzyloxy-1-formyl-2-methyl-propyl]-4-methylene-octyl]carbamate CAS Name: N-[(2S,3R,4S)-3-formyl-2-methyl-7-methylene-1-phenylmethoxyundecan-4-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R,4S)-3-formyl-2-methyl-7-methylidene-1-phenylmethoxyundecan-4-yl]carbamate Traditional Name: N-[(1S)-1-[(1R,2S)-3-benzoxy-1-formyl-2-methyl-propyl]-4-butyl-pent-4-enyl]carbamic acid tert-butyl ester Formula: C26H41NO4 MolecularWeight: 431.60804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)CCC(C(C=O)C(C)COCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(=C)CC[C@@H]([C@H](C=O)[C@H](C)COCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H41NO4/c1-7-8-12-20(2)15-16-24(27-25(29)31-26(4,5)6)23(17-28)21(3)18-30-19-22-13-10-9-11-14-22/h9-11,13-14,17,21,23-24H,2,7-8,12,15-16,18-19H2,1,3-6H3,(H,27,29)/t21-,23-,24+/m1/s1