4-[(3-indol-1-ylpropanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(3-indol-1-ylpropanoylamino)methyl]benzoic acid Openeye Name: 4-[(3-indol-1-ylpropanoylamino)methyl]benzoic acid CAS Name: 4-[[[3-(1-indolyl)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[(3-indol-1-ylpropanoylamino)methyl]benzoic acid Traditional Name: 4-[(3-indol-1-ylpropanoylamino)methyl]benzoic acid Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CCC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CCC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H18N2O3/c22-18(20-13-14-5-7-16(8-6-14)19(23)24)10-12-21-11-9-15-3-1-2-4-17(15)21/h1-9,11H,10,12-13H2,(H,20,22)(H,23,24)