[1-[[1-(7-benzamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]carbamic acid

Systemtic Name: [1-[[1-(7-benzamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]carbamic acid Openeye Name: [2-[[2-(7-benzamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-(benzyloxymethyl)-2-oxo-ethyl]amino]-1,1-dimethyl-2-oxo-ethyl]carbamic acid CAS Name: [1-[[1-(7-benzamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid IUPAC Name: [1-[[1-(7-benzamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid Traditional Name: [2-[[2-(7-benzamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-(benzoxymethyl)-2-keto-ethyl]amino]-2-keto-1,1-dimethyl-ethyl]carbamic acid Formula: C31H34N4O6 MolecularWeight: 558.62486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4)NC(=O)O

Isomeric SMILES

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4)NC(=O)O

InChI

InChI=1S/C31H34N4O6/c1-31(2,34-30(39)40)29(38)33-26(20-41-19-21-9-5-3-6-10-21)28(37)35-16-15-22-13-14-25(17-24(22)18-35)32-27(36)23-11-7-4-8-12-23/h3-14,17,26,34H,15-16,18-20H2,1-2H3,(H,32,36)(H,33,38)(H,39,40)