(E)-3-(7-ethyl-3-methyl-2H-indazol-5-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid

Systemtic Name: (E)-3-(7-ethyl-3-methyl-2H-indazol-5-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Openeye Name: (E)-2-(benzyloxycarbonylamino)-3-(7-ethyl-3-methyl-2H-indazol-5-yl)prop-2-enoic acid CAS Name: (E)-3-(7-ethyl-3-methyl-2H-indazol-5-yl)-2-(phenylmethoxycarbonylamino)-2-propenoic acid IUPAC Name: (E)-3-(7-ethyl-3-methyl-2H-indazol-5-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Traditional Name: (E)-2-(benzyloxycarbonylamino)-3-(7-ethyl-3-methyl-2H-indazol-5-yl)acrylic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(NN=C12)C)C=C(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC2=C(NN=C12)C)/C=C(\C(=O)O)/NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-3-16-9-15(10-17-13(2)23-24-19(16)17)11-18(20(25)26)22-21(27)28-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)/b18-11+