3-[[(4E)-4-[(4-cyclohexyl-3-methyl-phenyl)methoxyimino]-2,3-dihydrochromen-7-yl]methylamino]propanoic acid

Systemtic Name: 3-[[(4E)-4-[(4-cyclohexyl-3-methyl-phenyl)methoxyimino]-2,3-dihydrochromen-7-yl]methylamino]propanoic acid Openeye Name: 3-[[(4E)-4-[(4-cyclohexyl-3-methyl-phenyl)methoxyimino]chroman-7-yl]methylamino]propanoic acid CAS Name: 3-[[(4E)-4-[(4-cyclohexyl-3-methylphenyl)methoxyimino]-3,4-dihydro-2H-1-benzopyran-7-yl]methylamino]propanoic acid IUPAC Name: 3-[[(4E)-4-[(4-cyclohexyl-3-methylphenyl)methoxyimino]-2,3-dihydrochromen-7-yl]methylamino]propanoic acid Traditional Name: 3-[[(4E)-4-(4-cyclohexyl-3-methyl-benzyl)oximinochroman-7-yl]methylamino]propionic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CON=C2CCOC3=C2C=CC(=C3)CNCCC(=O)O)C4CCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)CO/N=C/2\CCOC3=C2C=CC(=C3)CNCCC(=O)O)C4CCCCC4

InChI

InChI=1S/C27H34N2O4/c1-19-15-21(8-9-23(19)22-5-3-2-4-6-22)18-33-29-25-12-14-32-26-16-20(7-10-24(25)26)17-28-13-11-27(30)31/h7-10,15-16,22,28H,2-6,11-14,17-18H2,1H3,(H,30,31)/b29-25+