(3S)-2-[2-carboxyethyl(ethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[2-carboxyethyl(ethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[2-carboxyethyl(ethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[[2-carboxyethyl(ethyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[2-carboxyethyl(ethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[2-carboxyethyl(ethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)O)C(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CCN(CCC(=O)O)C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O

InChI

InChI=1S/C16H20N2O5/c1-2-17(8-7-14(19)20)16(23)18-10-12-6-4-3-5-11(12)9-13(18)15(21)22/h3-6,13H,2,7-10H2,1H3,(H,19,20)(H,21,22)/t13-/m0/s1