(E)-2-(phenylmethoxycarbonylamino)-3-(7-propan-2-yl-1H-indazol-5-yl)prop-2-enoic acid

Systemtic Name: (E)-2-(phenylmethoxycarbonylamino)-3-(7-propan-2-yl-1H-indazol-5-yl)prop-2-enoic acid Openeye Name: (E)-2-(benzyloxycarbonylamino)-3-(7-isopropyl-1H-indazol-5-yl)prop-2-enoic acid CAS Name: (E)-2-(phenylmethoxycarbonylamino)-3-(7-propan-2-yl-1H-indazol-5-yl)-2-propenoic acid IUPAC Name: (E)-2-(phenylmethoxycarbonylamino)-3-(7-propan-2-yl-1H-indazol-5-yl)prop-2-enoic acid Traditional Name: (E)-2-(benzyloxycarbonylamino)-3-(7-isopropyl-1H-indazol-5-yl)acrylic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC(=C1)C=C(C(=O)O)NC(=O)OCC3=CC=CC=C3)C=NN2

Isomeric SMILES

CC(C)C1=C2C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)OCC3=CC=CC=C3)C=NN2

InChI

InChI=1S/C21H21N3O4/c1-13(2)17-9-15(8-16-11-22-24-19(16)17)10-18(20(25)26)23-21(27)28-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)/b18-10+