2-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamoyl]benzoic acid

Systemtic Name: 2-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamoyl]benzoic acid Openeye Name: 2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamoyl]benzoic acid CAS Name: 2-[[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamoyl]benzoic acid Traditional Name: 2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamoyl]benzoic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=O)C3=CC=CC=C3C(=O)O)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=O)C3=CC=CC=C3C(=O)O)CC2OC(=C1)O

InChI

InChI=1S/C18H17NO5/c1-10-8-16(20)24-15-9-11(6-7-12(10)15)19-17(21)13-4-2-3-5-14(13)18(22)23/h2-5,8,15,20H,6-7,9H2,1H3,(H,22,23)