(2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxy-quinolin-7-yl]oxybutanoylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxy-quinolin-7-yl]oxybutanoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[4-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]butanoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[4-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolinyl]oxy]-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[4-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]butanoylamino]-4-methyl-valeric acid Formula: C33H35N3O7 MolecularWeight: 585.6469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CCCOC1=CC2=NC=CC(=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)CCCOC1=CC2=NC=CC(=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H35N3O7/c1-21(2)18-27(33(39)40)36-31(37)10-7-17-42-30-20-26-25(19-29(30)41-3)28(15-16-34-26)43-24-13-11-23(12-14-24)35-32(38)22-8-5-4-6-9-22/h4-6,8-9,11-16,19-21,27H,7,10,17-18H2,1-3H3,(H,35,38)(H,36,37)(H,39,40)/t27-/m0/s1