7-azanyl-7-azanylidene-2-[5-[3-(diethylcarbamoyl)phenyl]-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]heptanoic acid

Systemtic Name: 7-azanyl-7-azanylidene-2-[5-[3-(diethylcarbamoyl)phenyl]-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]heptanoic acid Openeye Name: 7-amino-2-[5-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-indan-1-yl]-7-imino-heptanoic acid CAS Name: 7-amino-2-[5-[3-[diethylamino(oxo)methyl]phenyl]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-iminoheptanoic acid IUPAC Name: 7-amino-2-[5-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-iminoheptanoic acid Traditional Name: 7-amino-2-[5-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-indan-1-yl]-7-imino-enanthic acid Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)C(C(C3)O)C(CCCCC(=N)N)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)C(C(C3)O)C(CCCCC(=N)N)C(=O)O

InChI

InChI=1S/C27H35N3O4/c1-3-30(4-2)26(32)19-9-7-8-17(14-19)18-12-13-21-20(15-18)16-23(31)25(21)22(27(33)34)10-5-6-11-24(28)29/h7-9,12-15,22-23,25,31H,3-6,10-11,16H2,1-2H3,(H3,28,29)(H,33,34)