(4-oxidanylidene-1,2,3-benzotriazin-3-yl) 2-[2-(3,5-dimethoxyphenyl)propan-2-ylamino]-3-phenyl-propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl) 2-[2-(3,5-dimethoxyphenyl)propan-2-ylamino]-3-phenyl-propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl) 2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethyl]amino]-3-phenyl-propanoate CAS Name: 2-[2-(3,5-dimethoxyphenyl)propan-2-ylamino]-3-phenylpropanoic acid (4-oxo-1,2,3-benzotriazin-3-yl) ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl) 2-[2-(3,5-dimethoxyphenyl)propan-2-ylamino]-3-phenylpropanoate Traditional Name: 2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethyl]amino]-3-phenyl-propionic acid (4-keto-1,2,3-benzotriazin-3-yl) ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=CC(=C1)OC)OC)NC(CC2=CC=CC=C2)C(=O)ON3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)(C1=CC(=CC(=C1)OC)OC)NC(CC2=CC=CC=C2)C(=O)ON3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C27H28N4O5/c1-27(2,19-15-20(34-3)17-21(16-19)35-4)28-24(14-18-10-6-5-7-11-18)26(33)36-31-25(32)22-12-8-9-13-23(22)29-30-31/h5-13,15-17,24,28H,14H2,1-4H3