3-oxidanylidene-3-(spiro[chromene-2,1'-cycloheptane]-5-ylamino)propanoic acid

Systemtic Name: 3-oxidanylidene-3-(spiro[chromene-2,1'-cycloheptane]-5-ylamino)propanoic acid Openeye Name: 3-oxo-3-(spiro[chromene-2,1'-cycloheptane]-5-ylamino)propanoic acid CAS Name: 3-oxo-3-(5-spiro[1-benzopyran-2,1'-cycloheptane]ylamino)propanoic acid IUPAC Name: 3-oxo-3-(spiro[chromene-2,1'-cycloheptane]-5-ylamino)propanoic acid Traditional Name: 3-keto-3-(spiro[chromene-2,1'-cycloheptane]-5-ylamino)propionic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2(CC1)C=CC3=C(C=CC=C3O2)NC(=O)CC(=O)O

Isomeric SMILES

C1CCCC2(CC1)C=CC3=C(C=CC=C3O2)NC(=O)CC(=O)O

InChI

InChI=1S/C18H21NO4/c20-16(12-17(21)22)19-14-6-5-7-15-13(14)8-11-18(23-15)9-3-1-2-4-10-18/h5-8,11H,1-4,9-10,12H2,(H,19,20)(H,21,22)