3-indol-1-yl-5-methoxy-4-methyl-2-[(E)-prop-1-enyl]-6-(propylcarbamoyl)benzoic acid

Systemtic Name: 3-indol-1-yl-5-methoxy-4-methyl-2-[(E)-prop-1-enyl]-6-(propylcarbamoyl)benzoic acid Openeye Name: 3-indol-1-yl-5-methoxy-4-methyl-2-[(E)-prop-1-enyl]-6-(propylcarbamoyl)benzoic acid CAS Name: 5-(1-indolyl)-3-methoxy-4-methyl-2-[oxo(propylamino)methyl]-6-[(E)-prop-1-enyl]benzoic acid IUPAC Name: 3-indol-1-yl-5-methoxy-4-methyl-2-[(E)-prop-1-enyl]-6-(propylcarbamoyl)benzoic acid Traditional Name: 3-indol-1-yl-5-methoxy-4-methyl-2-[(E)-prop-1-enyl]-6-(propylcarbamoyl)benzoic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C(=C(C(=C1C(=O)O)C=CC)N2C=CC3=CC=CC=C32)C)OC

Isomeric SMILES

CCCNC(=O)C1=C(C(=C(C(=C1C(=O)O)/C=C/C)N2C=CC3=CC=CC=C32)C)OC

InChI

InChI=1S/C24H26N2O4/c1-5-9-17-19(24(28)29)20(23(27)25-13-6-2)22(30-4)15(3)21(17)26-14-12-16-10-7-8-11-18(16)26/h5,7-12,14H,6,13H2,1-4H3,(H,25,27)(H,28,29)/b9-5+