(E)-3-(3-cyano-7-methyl-1H-indol-5-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid

Systemtic Name: (E)-3-(3-cyano-7-methyl-1H-indol-5-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Openeye Name: (E)-2-(benzyloxycarbonylamino)-3-(3-cyano-7-methyl-1H-indol-5-yl)prop-2-enoic acid CAS Name: (E)-3-(3-cyano-7-methyl-1H-indol-5-yl)-2-(phenylmethoxycarbonylamino)-2-propenoic acid IUPAC Name: (E)-3-(3-cyano-7-methyl-1H-indol-5-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Traditional Name: (E)-2-(benzyloxycarbonylamino)-3-(3-cyano-7-methyl-1H-indol-5-yl)acrylic acid Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C=C(C(=O)O)NC(=O)OCC3=CC=CC=C3)C(=CN2)C#N

Isomeric SMILES

CC1=C2C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)OCC3=CC=CC=C3)C(=CN2)C#N

InChI

InChI=1S/C21H17N3O4/c1-13-7-15(8-17-16(10-22)11-23-19(13)17)9-18(20(25)26)24-21(27)28-12-14-5-3-2-4-6-14/h2-9,11,23H,12H2,1H3,(H,24,27)(H,25,26)/b18-9+