4-[2-[[(E)-3-[1-[(2-methylphenyl)methyl]indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid

Systemtic Name: 4-[2-[[(E)-3-[1-[(2-methylphenyl)methyl]indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(E)-3-[1-(o-tolylmethyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(E)-3-[1-[(2-methylphenyl)methyl]-5-indolyl]-1-oxobut-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(E)-3-[1-[(2-methylphenyl)methyl]indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(E)-3-[1-(2-methylbenzyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butyric acid Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC3=C2C=CC(=C3)C(=CC(=O)NC4=CC=CC=C4OCCCC(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC3=C2C=CC(=C3)/C(=C/C(=O)NC4=CC=CC=C4OCCCC(=O)O)/C

InChI

InChI=1S/C30H30N2O4/c1-21-8-3-4-9-25(21)20-32-16-15-24-19-23(13-14-27(24)32)22(2)18-29(33)31-26-10-5-6-11-28(26)36-17-7-12-30(34)35/h3-6,8-11,13-16,18-19H,7,12,17,20H2,1-2H3,(H,31,33)(H,34,35)/b22-18+