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

Systemtic Name: 4-(indol-1-ylmethyl)-3-methoxy-5-[(E)-prop-1-enyl]-2-(propylcarbamoyl)benzoic acid Openeye Name: 4-(indol-1-ylmethyl)-3-methoxy-5-[(E)-prop-1-enyl]-2-(propylcarbamoyl)benzoic acid CAS Name: 4-(1-indolylmethyl)-3-methoxy-2-[oxo(propylamino)methyl]-5-[(E)-prop-1-enyl]benzoic acid IUPAC Name: 4-(indol-1-ylmethyl)-3-methoxy-5-[(E)-prop-1-enyl]-2-(propylcarbamoyl)benzoic acid Traditional Name: 4-(indol-1-ylmethyl)-3-methoxy-5-[(E)-prop-1-enyl]-2-(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)CN2C=CC3=CC=CC=C32)OC

Isomeric SMILES

CCCNC(=O)C1=C(C(=C(C=C1C(=O)O)/C=C/C)CN2C=CC3=CC=CC=C32)OC

InChI

InChI=1S/C24H26N2O4/c1-4-8-17-14-18(24(28)29)21(23(27)25-12-5-2)22(30-3)19(17)15-26-13-11-16-9-6-7-10-20(16)26/h4,6-11,13-14H,5,12,15H2,1-3H3,(H,25,27)(H,28,29)/b8-4+