tert-butyl (2S,3S)-2-[4-(hydroxymethyl)-7-oxidanylidene-6-[(4-phenylmethoxyphenyl)methyl]-3,6-dihydro-2H-azepin-1-yl]-3-methyl-pentanoate

Systemtic Name: tert-butyl (2S,3S)-2-[4-(hydroxymethyl)-7-oxidanylidene-6-[(4-phenylmethoxyphenyl)methyl]-3,6-dihydro-2H-azepin-1-yl]-3-methyl-pentanoate Openeye Name: tert-butyl (2S,3S)-2-[6-[(4-benzyloxyphenyl)methyl]-4-(hydroxymethyl)-7-oxo-3,6-dihydro-2H-azepin-1-yl]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[4-(hydroxymethyl)-7-oxo-6-[(4-phenylmethoxyphenyl)methyl]-3,6-dihydro-2H-azepin-1-yl]-3-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-2-[4-(hydroxymethyl)-7-oxo-6-[(4-phenylmethoxyphenyl)methyl]-3,6-dihydro-2H-azepin-1-yl]-3-methylpentanoate Traditional Name: (2S,3S)-2-[6-(4-benzoxybenzyl)-7-keto-4-methylol-3,6-dihydro-2H-azepin-1-yl]-3-methyl-valeric acid tert-butyl ester Formula: C31H41NO5 MolecularWeight: 507.66094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(C)(C)C)N1CCC(=CC(C1=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CO

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)N1CCC(=CC(C1=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CO

InChI

InChI=1S/C31H41NO5/c1-6-22(2)28(30(35)37-31(3,4)5)32-17-16-25(20-33)19-26(29(32)34)18-23-12-14-27(15-13-23)36-21-24-10-8-7-9-11-24/h7-15,19,22,26,28,33H,6,16-18,20-21H2,1-5H3/t22-,26?,28-/m0/s1