4-[[6-methoxy-7-methyl-5-[(Z)-3-methyl-6-oxidanylidene-6-(4-pyrrolidin-1-ylbutoxy)hex-2-enyl]-3-oxidanylidene-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid

Systemtic Name: 4-[[6-methoxy-7-methyl-5-[(Z)-3-methyl-6-oxidanylidene-6-(4-pyrrolidin-1-ylbutoxy)hex-2-enyl]-3-oxidanylidene-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid Openeye Name: 4-[[6-methoxy-7-methyl-5-[(Z)-3-methyl-6-oxo-6-(4-pyrrolidin-1-ylbutoxy)hex-2-enyl]-3-oxo-1H-isobenzofuran-4-yl]oxycarbonylamino]benzoic acid CAS Name: 4-[[[6-methoxy-7-methyl-5-[(Z)-3-methyl-6-oxo-6-[4-(1-pyrrolidinyl)butoxy]hex-2-enyl]-3-oxo-1H-isobenzofuran-4-yl]oxy-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[6-methoxy-7-methyl-5-[(Z)-3-methyl-6-oxo-6-(4-pyrrolidin-1-ylbutoxy)hex-2-enyl]-3-oxo-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid Traditional Name: 4-[[3-keto-5-[(Z)-6-keto-3-methyl-6-(4-pyrrolidinobutoxy)hex-2-enyl]-6-methoxy-7-methyl-phthalan-4-yl]oxycarbonylamino]benzoic acid Formula: C33H40N2O9 MolecularWeight: 608.6787

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)OC(=O)NC3=CC=C(C=C3)C(=O)O)CC=C(C)CCC(=O)OCCCCN4CCCC4)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)OC(=O)NC3=CC=C(C=C3)C(=O)O)C/C=C(/C)\CCC(=O)OCCCCN4CCCC4)OC

InChI

InChI=1S/C33H40N2O9/c1-21(9-15-27(36)42-19-7-6-18-35-16-4-5-17-35)8-14-25-29(41-3)22(2)26-20-43-32(39)28(26)30(25)44-33(40)34-24-12-10-23(11-13-24)31(37)38/h8,10-13H,4-7,9,14-20H2,1-3H3,(H,34,40)(H,37,38)/b21-8-