(phenylmethyl) 3-[[1,2-bis(oxidanylidene)-1-[(2-oxidanylidene-2-propoxy-ethyl)amino]hexan-3-yl]carbamoyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[[1,2-bis(oxidanylidene)-1-[(2-oxidanylidene-2-propoxy-ethyl)amino]hexan-3-yl]carbamoyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 3-[1-[2-oxo-2-[(2-oxo-2-propoxy-ethyl)amino]acetyl]butylcarbamoyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[1,2-dioxo-1-[(2-oxo-2-propoxyethyl)amino]hexan-3-yl]amino]-oxomethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[1,2-dioxo-1-[(2-oxo-2-propoxyethyl)amino]hexan-3-yl]carbamoyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[1-[2-keto-2-[(2-keto-2-propoxy-ethyl)amino]acetyl]butylcarbamoyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C29H41N3O7 MolecularWeight: 543.65174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)OCCC)NC(=O)C1CC2CCCCC2CN1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)OCCC)NC(=O)C1CC2CCCCC2CN1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H41N3O7/c1-3-10-23(26(34)28(36)30-17-25(33)38-15-4-2)31-27(35)24-16-21-13-8-9-14-22(21)18-32(24)29(37)39-19-20-11-6-5-7-12-20/h5-7,11-12,21-24H,3-4,8-10,13-19H2,1-2H3,(H,30,36)(H,31,35)