2-[[(Z)-2-acetamido-3-(4-isocyanophenyl)prop-2-enoyl]amino]-2-cyclohexyl-ethanoic acid

Systemtic Name: 2-[[(Z)-2-acetamido-3-(4-isocyanophenyl)prop-2-enoyl]amino]-2-cyclohexyl-ethanoic acid Openeye Name: 2-[[(Z)-2-acetamido-3-(4-isocyanophenyl)prop-2-enoyl]amino]-2-cyclohexyl-acetic acid CAS Name: 2-[[(Z)-2-acetamido-3-(4-isocyanophenyl)-1-oxoprop-2-enyl]amino]-2-cyclohexylacetic acid IUPAC Name: 2-[[(Z)-2-acetamido-3-(4-isocyanophenyl)prop-2-enoyl]amino]-2-cyclohexylacetic acid Traditional Name: 2-[[(Z)-2-acetamido-3-(4-isocyanophenyl)acryloyl]amino]-2-cyclohexyl-acetic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=C(C=C1)[N+]#[C-])C(=O)NC(C2CCCCC2)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=C(C=C1)[N+]#[C-])/C(=O)NC(C2CCCCC2)C(=O)O

InChI

InChI=1S/C20H23N3O4/c1-13(24)22-17(12-14-8-10-16(21-2)11-9-14)19(25)23-18(20(26)27)15-6-4-3-5-7-15/h8-12,15,18H,3-7H2,1H3,(H,22,24)(H,23,25)(H,26,27)/b17-12-