(1R,6S)-6-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H15N2O4- MolecularWeight: 299.3013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-]

InChI

InChI=1S/C16H16N2O4/c1-9-17-13-8-10(6-7-14(13)22-9)18-15(19)11-4-2-3-5-12(11)16(20)21/h2-3,6-8,11-12H,4-5H2,1H3,(H,18,19)(H,20,21)/p-1/t11-,12+/m0/s1