2-[(3-oxidanyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylamino]butanoic acid

Systemtic Name: 2-[(3-oxidanyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylamino]butanoic acid Openeye Name: 2-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylamino]butanoic acid CAS Name: 2-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-4-yl)methylamino]butanoic acid IUPAC Name: 2-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylamino]butanoic acid Traditional Name: 2-[(3-hydroxy-6-keto-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)methylamino]butyric acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)O

Isomeric SMILES

CCC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)O

InChI

InChI=1S/C18H21NO5/c1-2-14(17(21)22)19-9-13-15(20)8-7-11-10-5-3-4-6-12(10)18(23)24-16(11)13/h7-8,14,19-20H,2-6,9H2,1H3,(H,21,22)