2-[2-[(4-benzamido-3-oxidanylidene-5-phenyl-pentyl)amino]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[(4-benzamido-3-oxidanylidene-5-phenyl-pentyl)amino]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[(4-benzamido-3-oxo-5-phenyl-pentyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[(4-benzamido-3-oxo-5-phenylpentyl)amino]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[(4-benzamido-3-oxo-5-phenylpentyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[(4-benzamido-3-keto-5-phenyl-pentyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C30H31N3O5 MolecularWeight: 513.58424

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CNCCC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CNCCC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H31N3O5/c34-27(25(17-21-9-3-1-4-10-21)32-29(36)22-11-5-2-6-12-22)15-16-31-19-28(35)33-20-24-14-8-7-13-23(24)18-26(33)30(37)38/h1-14,25-26,31H,15-20H2,(H,32,36)(H,37,38)