benzotriazol-1-ylmethyl (3S)-3-benzamido-3-phenyl-propanoate

Systemtic Name: benzotriazol-1-ylmethyl (3S)-3-benzamido-3-phenyl-propanoate Openeye Name: benzotriazol-1-ylmethyl (3S)-3-benzamido-3-phenyl-propanoate CAS Name: (3S)-3-benzamido-3-phenylpropanoic acid 1-benzotriazolylmethyl ester IUPAC Name: benzotriazol-1-ylmethyl (3S)-3-benzamido-3-phenylpropanoate Traditional Name: (3S)-3-benzamido-3-phenyl-propionic acid benzotriazol-1-ylmethyl ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCN2C3=CC=CC=C3N=N2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)OCN2C3=CC=CC=C3N=N2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O3/c28-22(30-16-27-21-14-8-7-13-19(21)25-26-27)15-20(17-9-3-1-4-10-17)24-23(29)18-11-5-2-6-12-18/h1-14,20H,15-16H2,(H,24,29)/t20-/m0/s1