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

Systemtic Name: 2-(indol-1-ylmethyl)-3-methoxy-4-[(E)-3-oxidanylidene-3-(propylamino)prop-1-enyl]benzoic acid Openeye Name: 2-(indol-1-ylmethyl)-3-methoxy-4-[(E)-3-oxo-3-(propylamino)prop-1-enyl]benzoic acid CAS Name: 2-(1-indolylmethyl)-3-methoxy-4-[(E)-3-oxo-3-(propylamino)prop-1-enyl]benzoic acid IUPAC Name: 2-(indol-1-ylmethyl)-3-methoxy-4-[(E)-3-oxo-3-(propylamino)prop-1-enyl]benzoic acid Traditional Name: 2-(indol-1-ylmethyl)-4-[(E)-3-keto-3-(propylamino)prop-1-enyl]-3-methoxy-benzoic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C=CC1=C(C(=C(C=C1)C(=O)O)CN2C=CC3=CC=CC=C32)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4/c1-3-13-24-21(26)11-9-17-8-10-18(23(27)28)19(22(17)29-2)15-25-14-12-16-6-4-5-7-20(16)25/h4-12,14H,3,13,15H2,1-2H3,(H,24,26)(H,27,28)/b11-9+