methyl (2S)-2-[1-(benzotriazol-1-yl)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[1-(benzotriazol-1-yl)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[1-(benzotriazol-1-yl)isoindol-2-yl]-3-phenyl-propanoate CAS Name: (2S)-2-[1-(1-benzotriazolyl)-2-isoindolyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[1-(benzotriazol-1-yl)isoindol-2-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[1-(benzotriazol-1-yl)isoindol-2-yl]-3-phenyl-propionic acid methyl ester Formula: C24H20N4O2 MolecularWeight: 396.4412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N2C=C3C=CC=CC3=C2N4C5=CC=CC=C5N=N4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)N2C=C3C=CC=CC3=C2N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H20N4O2/c1-30-24(29)22(15-17-9-3-2-4-10-17)27-16-18-11-5-6-12-19(18)23(27)28-21-14-8-7-13-20(21)25-26-28/h2-14,16,22H,15H2,1H3/t22-/m0/s1